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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.41 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.40 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29889400 | 0.98 | HTR3A (0.42) | HTR3AHTR2CHTR1ASLC6A2SLC6A4 | |
| SCHEMBL1741786 | 0.98 | HTR3A (0.42) | HTR3AHTR2CHTR1ASLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL18952739 | 0.87 | HTR2C (0.47) | HTR2CHTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20609687 | 0.86 | DRD2 (0.44) | HPGDS | |
| SCHEMBL7470322 | 0.86 | DRD2 (0.44) | HPGDS | |
| SCHEMBL615556 | 0.85 | SLC18A3 (0.46) | HTR2CHTR1ASLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL3723770 | 0.82 | CHRNB4 (0.45) | HTR3A | |
| SCHEMBL7896413 | 0.80 | CHRNB2 (0.43) | HTR3A | |
| Hydrochloric Acid SCHEMBL29277042 | 0.79 | HTR3A (0.50) | HTR3A | |
| Hydrochloric Acid SCHEMBL3972091 | 0.77 | SLC18A3 (0.41) | HTR3AHTR2CHTR1ASLC6A2SLC6A4 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410087-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-04-02 | — | — | US | disclosed |
| EP-2508524-A2 | Indole compound | Takeda Pharmaceutical Company Limited (JP) | 2012-10-10 | — | — | EP | disclosed |
| US-7777047-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-17 | — | — | US | disclosed |
| US-20100144702-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-10 | — | — | US | disclosed |
| US-20100137610-A1 | Indole compound | YASUMA TSUNEO | 2010-06-03 | — | — | US | disclosed |
| US-7718798-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-18 | — | — | US | disclosed |
| US-7652133-B2 | Indole compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20090286975-A1 | Indole compound | YASUMA TSUNEO | 2009-11-19 | — | — | US | disclosed |
| EP-2074119-A1 | INDOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008050821-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |
| US-20080096877-A1 | Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-04-24 | — | — | US | disclosed |
| EP-1778675-A1 | CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF | Cylene Pharmaceuticals, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006015150-A1 | CHIRAL PYRROLIDINE DERIVATIVES, AND METHODS FOR PREPARING COMPOUNDS THEREOF | CYLENE PHARMACEUTICALS (US) | 2006-02-09 | — | — | WO | disclosed |
| US-20060025468-A1 | Chiral pyrrolidine derivatives, and methods for preparing compounds thereof | CYLENE PHARMACEUTICALS | 2006-02-02 | — | — | US | 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-20060025468-A1 | Chiral pyrrolidine derivatives, and methods for preparing compounds thereof | PIN1, HPD, DHPS | HTR3A 3296/4885HTR2C 3458/4885HTR1A 3501/4885 |
| US-20100144702-A1 | INDOLE COMPOUND | GCKR, GPR119, SLC5A1 | HTR3A 695/4885HTR2C 557/4885HTR1A 391/4885 |
| US-20100137610-A1 | Indole compound | GCKR, GPR119, SLC5A1 | HTR3A 695/4885HTR2C 557/4885HTR1A 391/4885 |
| US-20090286975-A1 | Indole compound | GCKR, GPR119, SLC5A1 | HTR3A 695/4885HTR2C 557/4885HTR1A 391/4885 |
| US-20080096877-A1 | Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example | GCKR, GCK, KHK | HTR3A 1583/4885HTR2C 1071/4885HTR1A 1506/4885 |
“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.