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 | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.65 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.61 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.61 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.61 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.50 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.50 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA7 | P43166 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.61 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | STS | P08842 | 1/20 | 0.54 |
| ▸ | ACR | P10323 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL429412 | 0.98 | LMNA (0.67) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL87450 | 0.84 | CA1 (0.83) | LMNACYP1A2CYP3A4MAOACA1 | |
| Hydrochloric Acid SCHEMBL20766395 | 0.83 | CA1 (0.63) | LMNACYP1A2CYP3A4MAOACA1 | |
| Hydrochloric Acid SCHEMBL3898828 | 0.83 | CA1 (0.63) | LMNACYP1A2CYP3A4MAOACA1 | |
| Hydrochloric Acid SCHEMBL3303778 | 0.83 | F10 (0.64) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL6896360 | 0.82 | LMNA (0.71) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL5543055 | 0.82 | NPC1 (0.54) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL5541652 | 0.82 | NPC1 (0.54) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL7746905 | 0.82 | CA1 (0.79) | LMNACYP1A2CYP3A4MAOACA1 | |
| SCHEMBL21440358 | 0.82 | CA1 (0.79) | LMNACYP1A2CYP3A4MAOACA1 |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | claimed |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | claimed |
| CN-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | claimed |
| JP-56113768-A | — | — | None | — | — | JP | disclosed |
| JP-56164170-A | — | — | None | — | — | JP | disclosed |
| JP-56164171-A | — | — | None | — | — | JP | disclosed |
| JP-56164169-A | — | — | None | — | — | JP | disclosed |
| CN-113024470-B | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-113024470-A | 4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof | 南京工业大学 | 2021-06-25 | — | — | CN | disclosed |
| EP-3097089-B1 | ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS | REATA PHARMACEUTICALS INC (US) | 2021-02-24 | — | — | EP | disclosed |
| CN-112159411-A | Trifluoromethyl substituted pyrimido [1,3] diaza compound and preparation method thereof | 南京工业大学 | 2021-01-01 | — | — | CN | disclosed |
| EP-0382077-A2 | Diaryl-substituted heterocyclic compound, its preparation and medicaments and cosmetics made thereof | BASF Aktiengesellschaft (DE) | 1990-08-16 | — | — | EP | disclosed |
| JP-S56164169-A | LIQUID CRYSTAL COMPOUND | SEIKO EPSON CORP | 1981-12-17 | — | — | JP | disclosed |
| JP-S56164170-A | LIQUID CRYSTAL COMPOUND | SEIKO EPSON CORP | 1981-12-17 | — | — | JP | disclosed |
| JP-S56164171-A | LIQUID CRYSTAL COMPOUND | SEIKO EPSON CORP | 1981-12-17 | — | — | JP | disclosed |
| JP-S56113768-A | COMPOUND | SEIKO EPSON CORP | 1981-09-07 | — | — | JP | disclosed |
| US-4180475-A | POSITIVE ANISOTROPY OF DIELECTRIC CONSTANTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-12-25 | — | — | US | disclosed |
| US-4066570-A | OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS | HOFFMAN-LA ROCHE INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-4062798-A | NEMATIC CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1977-12-13 | — | — | US | disclosed |
| US-3997536-A | LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-14 | — | — | US | disclosed |