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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.54 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.54 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.54 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 2/20 | 0.45 |
| ▸ | HTR3B known ✓ | O95264 | 2/20 | 0.45 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.45 |
| ▸ | HTR3D known ✓ | Q70Z44 | 2/20 | 0.45 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 2/20 | 0.45 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.34 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.54 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.51 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7266119 | 0.98 | HRH4 (0.56) | TDP1HRH4HRH3HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL1310204 | 0.81 | GABRR1 (0.66) | TDP1HRH4HRH3HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL7275217 | 0.80 | TDP1 (0.61) | TDP1HRH4HRH3HRH2HRH1 | |
| SCHEMBL7316533 | 0.79 | ALDH1A1 (0.39) | TDP1HRH4HRH3HRH2HRH1 | |
| SCHEMBL8891350 | 0.75 | GABRR1 (0.53) | TDP1HRH4HRH3HRH2HRH1 | |
| 4-Methylhistamine SCHEMBL9456351 | 0.73 | TDP1 (1.00) | TDP1HRH4HRH3HRH2HRH1 | |
| Oxalic Acid SCHEMBL5157364 | 0.71 | GABRR1 (0.61) | TDP1HRH4HRH3HRH2HRH1 | |
| SCHEMBL5157359 | 0.71 | GABRR1 (0.56) | TDP1HRH4HRH3HRH2HRH1 | |
| SCHEMBL6569238 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6741572 | 0.70 | TDP1 (0.61) | TDP1HRH4HRH3HRH2HRH1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0276163-B1 | INDOLE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1992-07-15 | — | — | EP | disclosed |
| EP-0242973-B1 | INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1991-07-17 | — | — | EP | disclosed |
| US-5026696-A | Psychotic disorders, anziety, nausea and vomiting | GLAXO GROUP LIMITED (GB) | 1991-06-25 | — | — | US | disclosed |
| US-4963546-A | Ketone derivatives which are antagonists of 5-HT at 5-HT3 receptors, compositions containing them, and method of use | GLAXO GROUP LIMITED (GB) | 1990-10-16 | — | — | US | disclosed |
| EP-0327307-A2 | Tricyclic ketone derivatives having a 5-HT3 antagonist activity | GLAXO GROUP LIMITED (GB) | 1989-08-09 | — | — | EP | disclosed |
| US-4808581-A | ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS | GLAXO GROUP LIMITED (GB) | 1989-02-28 | — | — | US | disclosed |
| EP-0276163-A2 | Indole derivatives | GLAXO GROUP LIMITED (GB) | 1988-07-27 | — | — | EP | disclosed |
| EP-0242973-A1 | Indole derivatives, method for their preparation and pharmaceutical compositions containing them | GLAXO GROUP LIMITED (GB) | 1987-10-28 | — | — | EP | disclosed |