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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.40 |
| ▸ | IMPDH2 known ✓ | P12268 | 1/20 | 0.40 |
| ▸ | IMPDH1 known ✓ | P20839 | 1/20 | 0.40 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.39 |
| ▸ | PRKCQ known ✓ | Q04759 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 2/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TAF1 | P21675 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
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 SCHEMBL27757229 | 1.00 | AHR (0.48) | AHRKEAP1MCL1PDPK1CA1 | |
| Hydrochloric Acid SCHEMBL29363603 | 1.00 | AHR (0.48) | AHRKEAP1MCL1PDPK1CA1 | |
| SCHEMBL29361477 | 0.98 | AHR (0.50) | AHRKEAP1MCL1PDPK1CA1 | |
| SCHEMBL1420318 | 0.98 | AHR (0.50) | AHRKEAP1MCL1PDPK1CA1 | |
| Formic Acid SCHEMBL30673625 | 0.88 | KEAP1 (0.45) | AHRKEAP1MCL1PDPK1CA1 | |
| Trifluoroacetic Acid SCHEMBL29364273 | 0.82 | KEAP1 (0.47) | AHRKEAP1MCL1PDPK1CA1 | |
| Cadaverine Tartrate SCHEMBL28147371 | 0.82 | KEAP1 (0.47) | AHRKEAP1MCL1PDPK1CA1 | |
| Quinoline SCHEMBL27950148 | 0.81 | ALDH1A1 (0.49) | AHRCA1CA2DYRK1AHTT | |
| SCHEMBL97591 | 0.78 | AHR (0.50) | AHRKEAP1PDPK1CA1CA2 | |
| SCHEMBL18000241 | 0.78 | AHR (0.55) | AHRKEAP1PDPK1CA1CA2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440497-A | The related indication treatment of castration | 伊莱利利公司 | 2018-08-24 | — | — | CN | disclosed |
| EP-3191094-A1 | TREATMENT OF ANDROGEN DEPRIVATION THERAPY ASSOCIATED SYMPTOMS | Eli Lilly and Company (US) | 2017-07-19 | — | — | EP | disclosed |
| CN-106794178-A | treatment of symptoms associated with castration therapy | 伊莱利利公司 | 2017-05-31 | — | — | CN | disclosed |
| WO-2016040234-A1 | TREATMENT OF ANDROGEN DEPRIVATION THERAPY ASSOCIATED SYMPTOMS | ELI LILLY AND COMPANY (US) | 2016-03-17 | — | — | WO | disclosed |
| CN-101541749-B | Tetrahydrocyclopenta[b] indole compounds as androgen receptor modulators | LILLY CO ELI | 2013-03-27 | — | — | CN | disclosed |
| CN-101541749-A | Tetrahydrocyclopenta[b] indole compounds as androgen receptor modulators | LILLY CO ELI (US) | 2009-09-23 | — | — | CN | disclosed |
| EP-2094658-A2 | TETRAHYDROCYCLOPENTA[B]INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008063867-A2 | TETRAHYDROCYCLOPENTA[B] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2008-05-29 | — | — | WO | disclosed |
| CN-1277828-C | Piperzine devivs. | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | CN | disclosed |
| CN-1452622-A | Piperzine devivs. | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | CN | disclosed |
| EP-1325008-A1 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002010169-A1 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-07 | — | — | WO | disclosed |