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 | |
|---|---|---|---|---|
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.49 |
| ▸ | PDGFRA known ✓ | P16234 | 1/20 | 0.49 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 known ✓ | P08238 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10819124 | 1.00 | PDGFRB (0.49) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| SCHEMBL5198549 | 0.98 | PDGFRB (0.50) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| Methyl Alcohol SCHEMBL10773137 | 0.93 | PDGFRB (0.50) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| SCHEMBL150476 | 0.79 | NPC1 (0.65) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| SCHEMBL29350099 | 0.79 | NPC1 (0.65) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| SCHEMBL842549 | 0.78 | CHRNB4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11172737 | 0.77 | NPC1 (0.48) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| SCHEMBL13156510 | 0.75 | NPC1 (0.60) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| SCHEMBL12532559 | 0.75 | NPC1 (0.60) | PDGFRBPDGFRAALDH1A1NPC1POLB | |
| SCHEMBL18700662 | 0.75 | NPC1 (0.60) | PDGFRBPDGFRAALDH1A1NPC1POLB |
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-0013787-B1 | OCTAHYDRO PYRAZOLO (3,4-G)QUINOLINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 1984-05-02 | — | — | EP | disclosed |
| EP-0050881-B1 | OCTAHYDRO QUINOLINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1984-04-25 | — | — | EP | disclosed |
| US-4367231-A | PARKINSON*S SYNDROME | ELI LILLY AND COMPANY (US) | 1983-01-04 | — | — | US | disclosed |
| US-4230861-A | DOPAMINE ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1980-10-28 | — | — | US | disclosed |
| EP-0013787-A1 | Octahydro pyrazolo (3,4-g)quinolines, process for their preparation and pharmaceutical compositions containing them | ELI LILLY AND COMPANY (US) | 1980-08-06 | — | — | EP | disclosed |
| US-4198415-A | Prolactin inhibiting octahydro pyrazolo[3,4-g]quinolines | ELI LILLY AND COMPANY (US) | 1980-04-15 | — | — | US | disclosed |