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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27802330 | 0.99 | CYP1A2 (0.48) | CYP1A2CYP2D6HTR2AHRH1CA1 | |
| Hydrochloric Acid SCHEMBL28102889 | 0.84 | CA1 (0.32) | CA1CA2 | |
| SCHEMBL6238480 | 0.78 | CYP1A2 (0.55) | CYP1A2CYP2D6HRH1KDM4EKMT2A | |
| SCHEMBL29845133 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2D6KDM4EKMT2A | |
| Diethylamine SCHEMBL28081949 | 0.73 | CA1 (0.45) | CYP1A2HTR2ACA1CA2KMT2A | |
| Dimethylformamide SCHEMBL28264885 | 0.73 | CA1 (0.45) | HTR2ACA1CA2KMT2A | |
| SCHEMBL12719 | 0.73 | CA1 (0.53) | HTR2ACA1CA2KMT2A | |
| SCHEMBL29393453 | 0.73 | CA1 (0.53) | HTR2ACA1CA2KMT2A | |
| Hydrochloric Acid SCHEMBL5375983 | 0.71 | CYP1A2 (0.55) | CYP1A2CYP2D6HTR2AHRH1SMN1; SMN2 | |
| Dimethylformamide SCHEMBL28206599 | 0.70 | CYP1A2 (0.76) | CYP1A2CYP2D6 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109966294-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109897038-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-109535155-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-103958508-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-106008466-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2018-12-14 | — | — | CN | disclosed |
| CN-106008322-B | sulfonamide derivatives as BC L-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases | ABBVIE 公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-104736153-B | Cell death inducer | 艾伯维公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-107987075-A | Cell death inducer for treating cancer and immunity and autoimmune disease | 艾伯维公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-104961771-B | For treating cancer and the immune cell death inducer with autoimmune disease | ABBVIE 公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-105026394-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2017-12-29 | — | — | CN | disclosed |
| CN-104876927-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2017-06-23 | — | — | CN | disclosed |
| CN-104684906-B | Nampt inhibitor | 艾伯维公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-106397418-A | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBVIE公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-104039762-B | Nampt inhibitor | ABBVIE INC. (US) | 2016-11-30 | — | — | CN | disclosed |
| CN-106045893-A | Apoptosis-inducing agents for treatment of cancer and immune and autoimmune diseases | ABBVIE 公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-106008466-A | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | 艾伯维公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-103987711-B | 8-carbamoyl-2- (2, 3-disubstituted pyridin-6-yl) -1,2,3, 4-tetrahydroisoquinoline derivatives as apoptosis inducers for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-102307622-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2016-08-17 | — | — | CN | disclosed |