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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 2/20 | 0.35 |
| ▸ | PRKCZ known ✓ | Q05513 | 1/20 | 0.33 |
| ▸ | ROCK2 known ✓ | O75116 | 7/20 | 0.32 |
| ▸ | ROCK1 known ✓ | Q13464 | 7/20 | 0.32 |
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7377917 | 0.90 | DPP4 (0.39) | GSK3BDPP4AKT1 | |
| Hydrochloric Acid SCHEMBL7374530 | 0.87 | GSK3B (0.34) | GSK3BDPP4BRD4CREBBPF10 | |
| Trifluoroacetic Acid SCHEMBL7385179 | 0.77 | DPP4 (0.38) | GSK3BDPP4F10AKT1 | |
| Trifluoroacetic Acid SCHEMBL7372614 | 0.74 | DPP4 (0.36) | GSK3BDPP4F10AKT1ROCK2 | |
| Hydrochloric Acid SCHEMBL7382391 | 0.74 | DPP4 (0.33) | DPP4IKBKBKDM2BSMYD3ROCK2 | |
| Hydrochloric Acid SCHEMBL7369766 | 0.74 | DPP4 (0.33) | DPP4IKBKBKDM2BSMYD3ROCK2 | |
| SCHEMBL7371755 | 0.71 | GSK3B (0.38) | GSK3BBRD4CREBBPF10PRKCZ | |
| SCHEMBL1654766 | 0.69 | AKT1 (0.37) | PRKCZAKT1IKBKBROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL7384122 | 0.66 | IDO1 (0.33) | GSK3BPRKCZAKT1ROCK2CYP19A1 | |
| SCHEMBL7372121 | 0.66 | AKT1 (0.37) | GSK3BAKT1IKBKBKDM2BROCK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086099-A4 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARM PROD INC (US) | 2002-01-02 | — | — | EP | disclosed |
| EP-0944386-A4 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARM PROD INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-1086099-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | Aventis Pharmaceuticals Products Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062904-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-12-09 | — | — | WO | disclosed |
| EP-0944386-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025611-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-06-18 | — | — | WO | disclosed |