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 | 1/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.37 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.32 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27719190 | 0.98 | NOS3 (0.45) | NOS3NOS1NOS2CA12CA1 | |
| Hydrochloric Acid SCHEMBL28165224 | 0.75 | ALDH1A1 (0.56) | NOS3NOS1NOS2CA12CA1 | |
| SCHEMBL12848579 | 0.72 | ALDH1A1 (0.58) | NOS3NOS1NOS2CA12CA1 | |
| Hydrochloric Acid SCHEMBL27570550 | 0.70 | TDP1 (0.40) | NOS3NOS1NOS2LMNACYP3A4 | |
| SCHEMBL28702353 | 0.69 | MPO (0.53) | CA1CA2CA9LMNACYP1A2 | |
| SCHEMBL218054 | 0.69 | TDP1 (0.67) | NOS3NOS1NOS2CA12CA1 | |
| SCHEMBL27492643 | 0.68 | MAPT (0.38) | CA1CA2CA9LMNACYP1A2 | |
| SCHEMBL28297918 | 0.67 | NOS3 (0.47) | NOS3NOS1NOS2CA12CA1 | |
| Ammonia Solution, Strong SCHEMBL28131657 | 0.65 | TDP1 (0.40) | LMNACYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28031495 | 0.65 | TDP1 (0.40) | LMNACYP3A4CYP2D6CYP2C9CYP2C19 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956057-B | Preparation method of flexible graphene film | 闪速优科(深圳)新材料有限公司 | 2023-07-04 | — | — | CN | claimed |
| CN-115754084-A | Analysis method of molvacoxib | 天和药业股份有限公司 | 2023-03-07 | — | — | CN | claimed |
| CN-114191440-A | Celecoxib composition and preparation method thereof | 江苏同禾药业有限公司 | 2022-03-18 | — | — | CN | claimed |
| CN-109010837-B | Celecoxib composition with high solubility | 千辉药业（安徽）有限责任公司 | 2021-09-28 | — | — | CN | claimed |
| CN-115974844-B | 3,4, 5-trimethoxyphenyl derivative and application thereof | 广东省科学院动物研究所 | 2023-09-26 | — | — | CN | disclosed |
| CN-115974844-A | 3,4,5-trimethoxyphenyl derivative and application thereof | 广东省科学院动物研究所 | 2023-04-18 | — | — | CN | disclosed |
| CN-114292235-B | Preparation and purification method of deracoxib | 江苏天和制药有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-114292235-B | Preparation and purification method of deracoxib | 江苏天和制药有限公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-115754084-A | Analysis method of molvacoxib | 天和药业股份有限公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-114956057-A | Preparation method of flexible graphene film | 闪速优科(深圳)新材料有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-110845457-B | Usnic acid derivative, preparation method thereof and application of usnic acid derivative in Alzheimer disease medicine | 中国药科大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-114292235-A | Preparation and purification method of deracoxib | 江苏天和制药有限公司 | 2022-04-08 | — | — | CN | disclosed |
| CN-114292235-A | Preparation and purification method of deracoxib | 江苏天和制药有限公司 | 2022-04-08 | — | — | CN | disclosed |
| CN-114191440-A | Celecoxib composition and preparation method thereof | 江苏同禾药业有限公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-109010837-B | Celecoxib composition with high solubility | 千辉药业（安徽）有限责任公司 | 2021-09-28 | — | — | CN | disclosed |
| CN-110845457-A | Usnic acid derivative, preparation method thereof and application of usnic acid derivative in Alzheimer disease medicine | 中国药科大学 | 2020-02-28 | — | — | CN | disclosed |