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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.47 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.47 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 5/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | FBP1 | P09467 | 7/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960292 | 0.98 | ALDH1A1 (0.59) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL294451 | 0.98 | ALDH1A1 (0.59) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL8477676 | 0.98 | ALDH1A1 (0.59) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL8720206 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL8719870 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL6918604 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL6916653 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL6913142 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL6914411 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1MEN1 | |
| SCHEMBL8718059 | 0.95 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10TDP1MEN1 |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107540692-A | Macrocyclic lactams compound containing rigid biaryl skeleton and preparation method thereof | 上海药明康德新药开发有限公司 | 2018-01-05 | — | — | CN | claimed |
| CN-107540691-A | Using diaryl ether as Macrocyclic lactams compound of skeleton and preparation method thereof | 上海药明康德新药开发有限公司 | 2018-01-05 | — | — | CN | claimed |
| US-4880576-A | HALOGENATION OF ACIDS, FORMAMIDE CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-11-14 | — | — | US | claimed |
| CN-109715629-A | AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES | 诺华股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109563103-A | modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-106061966-B | Bicyclic heterocycle derivatives as bromodomain inhibitor | 奥赖恩公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-106986875-A | The conditioning agent and its application method of 5 HT acceptors | ABBVIE 公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-102482292-B | Modulators of 5-HT receptors and methods of use thereof | ABBVIE 公司 | 2017-07-18 | — | — | CN | disclosed |
| CN-103339132-B | Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against raf kinase, containing same as active ingredi | 株式会社麦迪帕克特 | 2017-02-15 | — | — | CN | disclosed |
| CN-106061966-A | Bicyclic heterocyclic derivatives as bromodomain inhibitors | 奥赖恩公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-103370307-B | Sulfonamide compounds and preparation method thereof and using method | ZAFGEN CORP. (US) | 2016-05-25 | — | — | CN | disclosed |
| US-4117145-A | DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4113872-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS | BAKER AKTIENGESELLSHAFT (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4113957-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4112109-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |
| US-4099011-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-04 | — | — | US | disclosed |
| US-4096152-A | DIURETICS, SALURETICS, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-20 | — | — | US | disclosed |
| US-4069334-A | DIURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-01-17 | — | — | US | disclosed |
| US-4060549-A | Process for preparing sulfonic acid fluorides | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |
| US-4002641-A | DIURETICS, SALURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |