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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 7/20 | 0.53 |
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.53 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.53 |
| ▸ | GABRA3 known ✓ | P34903 | 2/20 | 0.53 |
| ▸ | GABRA2 known ✓ | P47869 | 2/20 | 0.53 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.53 |
| ▸ | GABRP known ✓ | O00591 | 1/20 | 0.53 |
| ▸ | GABRD known ✓ | O14764 | 1/20 | 0.53 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.53 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.53 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.53 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.53 |
| ▸ | GABRE known ✓ | P78334 | 1/20 | 0.53 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.53 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.53 |
| ▸ | CACNA1S known ✓ | Q13698 | 1/20 | 0.53 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.53 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.53 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11525787 | 0.98 | OPRK1 (0.55) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL29833338 | 0.98 | OPRK1 (0.55) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11525200 | 0.89 | OPRK1 (0.53) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11526461 | 0.87 | OPRK1 (0.54) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL29832937 | 0.87 | TDP1 (0.51) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL11526770 | 0.86 | OPRK1 (0.53) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL29832690 | 0.85 | TDP1 (0.44) | OPRK1GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL26918762 | 0.85 | CYP3A4 (0.55) | OPRK1KCNH2MARS1PDE4DTP53 | |
| SCHEMBL9565460 | 0.85 | GABRA1 (0.48) | GABRA1GABRA5GABRA3GABRA2GABRB2 | |
| SCHEMBL29832153 | 0.83 | GABRA1 (0.46) | OPRK1GABRA1GABRA5GABRA3GABRA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4157331-A | SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4153799-A | ANXIOLYTICS, SEDATIVES, ANTICONVULSANTS, MUSCLE RELAXANTS, PYRAZOLE INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4130716-A | ANXIOLYTICS, SEDATIVE, MUSCLE RELAXANT, ANTICONVULSANT | HOFFMANN-LA ROCHE INC. (US) | 1978-12-19 | — | — | US | disclosed |