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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.57 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | KMO | O15229 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.56 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1984609 | 0.98 | AKR1C3 (0.67) | AKR1C3LMNATDP1KMOPPARG | |
| SCHEMBL28765697 | 0.87 | LMNA (0.58) | AKR1C3LMNATDP1KMOPPARG | |
| SCHEMBL2193673 | 0.86 | ALDH1A1 (0.58) | AKR1C3LMNATDP1KMOALDH1A1 | |
| SCHEMBL6202616 | 0.84 | LMNA (0.64) | LMNATDP1ALDH1A1KDM4EGRM5 | |
| Hydrochloric Acid SCHEMBL6199364 | 0.84 | AKR1C3 (0.74) | AKR1C3KMOKDM4E | |
| SCHEMBL30449599 | 0.83 | AKR1C3 (0.92) | AKR1C3KMOKDM4E | |
| SCHEMBL68858 | 0.83 | AKR1C3 (0.92) | AKR1C3KMOKDM4E | |
| SCHEMBL30307454 | 0.83 | AKR1C3 (0.92) | AKR1C3KMOKDM4E | |
| SCHEMBL4318678 | 0.82 | SRD5A2 (0.61) | LMNATDP1KMOALDH1A1APP | |
| SCHEMBL29524445 | 0.82 | SRD5A2 (0.61) | LMNATDP1KMOALDH1A1APP |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1208104-B1 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMA (US) | 2005-01-19 | — | — | EP | disclosed |
| US-6548494-B1 | 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases | AGOURON PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |
| EP-1208104-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001016136-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-03-08 | — | — | WO | disclosed |