Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.40 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.38 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 15/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 3/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2043935 | 0.99 | TPSAB1 (0.51) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Fumaric Acid SCHEMBL2282789 | 0.94 | TPSAB1 (0.49) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1274752 | 0.94 | TPSAB1 (0.48) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL9110215 | 0.94 | TPSAB1 (0.51) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Benzoic Acid SCHEMBL2278083 | 0.94 | TPSAB1 (0.50) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| SCHEMBL6871291 | 0.93 | TPSAB1 (0.49) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| SCHEMBL1275882 | 0.93 | TPSAB1 (0.51) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL9110665 | 0.93 | TPSAB1 (0.43) | TPSAB1KCNH2CYP2C9CYP2C19 | |
| SCHEMBL2280873 | 0.92 | TPSAB1 (0.49) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL9110507 | 0.92 | TPSAB1 (0.48) | TPSAB1KCNH2CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2367812-B1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4TRIFLUOROMETHOXY-1H-INDOL-3-YL]METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI SA (FR) | 2015-09-16 | — | — | EP | disclosed |
| EP-2516418-B1 | PRODRUGS OF [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF | SANOFI SA (FR) | 2014-05-14 | — | — | EP | disclosed |
| US-8710080-B2 | Prodrugs of [4 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(1H-pyrrolo-pyridin-yl)-methanones and synthesis thereof | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| US-8497379-B2 | Method and intermediates for the preparation of 2,2,2-trifluoro-N-(4-fluoro-3-pyridin-4-yl-benzyl)-acetamide hydrochloride | SANOFI (FR) | 2013-07-30 | — | — | US | disclosed |
| EP-2538942-A1 | TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS | SANOFI (FR) | 2013-01-02 | — | — | EP | disclosed |
| US-20120309790-A1 | TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS | SANOFI (FR) | 2012-12-06 | — | — | US | disclosed |
| US-20120283445-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI (FR) | 2012-11-08 | — | — | US | disclosed |
| EP-2516418-A1 | PRODRUGS OF [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF | SANOFI (FR) | 2012-10-31 | — | — | EP | disclosed |
| EP-2515851-A1 | TREATMENT FOR INFLAMMATORY BOWEL DISEASE | SANOFI (FR) | 2012-10-31 | — | — | EP | disclosed |
| US-20120238573-A1 | PRODRUGS OF [4 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF | SANOFI (FR) | 2012-09-20 | — | — | US | disclosed |
| US-20120238603-A1 | TREATMENT FOR INFLAMMATORY BOWEL DISEASE | SANOFI (FR) | 2012-09-20 | — | — | US | disclosed |
| US-8217178-B2 | [4-(5-aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-[7-flouro-1-(2-methoxy-ethyl)-4-trifluorom as an inhibitor of mast cell tryptase | SANOFI (FR) | 2012-07-10 | — | — | US | disclosed |
| EP-2367812-A2 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4TRIFLUOROMETHOXY-1H-INDOL-3-YL]METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI (FR) | 2011-09-28 | — | — | EP | disclosed |
| WO-2011106334-A1 | TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS | SANOFI (FR) | 2011-09-01 | — | — | WO | disclosed |
| US-20110201647-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI-AVENTIS (FR) | 2011-08-18 | — | — | US | disclosed |
| WO-2011078983-A1 | TREATMENT FOR INFLAMMATORY BOWEL DISEASE | SANOFI (FR) | 2011-06-30 | — | — | WO | disclosed |
| WO-2011079095-A1 | PRODRUGS OF [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF | SANOFI (FR) | 2011-06-30 | — | — | WO | disclosed |
| WO-2010022196-A2 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI-AVENTIS (FR) | 2010-02-25 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110201647-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | CMA1, TPSAB1, TPSB2 | KCNH2 556/4885GLA 3024/4885GAA 254/4885 |
| US-20120283445-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | CMA1, TPSAB1, TPSB2 | KCNH2 556/4885GLA 3024/4885GAA 254/4885 |
| US-20120309790-A1 | TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS | TSLP, CMA1, TPSG1 | KCNH2 1450/4885GLA 161/4885GAA 94/4885 |
| US-20120238603-A1 | TREATMENT FOR INFLAMMATORY BOWEL DISEASE | SLC10A2, SI, IL17A | KCNH2 1229/4885GLA 1951/4885GAA 2809/4885 |
| US-20120238573-A1 | PRODRUGS OF [4 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF | CASP1, CYP2J2, CYP2C19 | KCNH2 830/4885GLA 3295/4885GAA 4088/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.