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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.45 |
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.45 |
| ▸ | ADRA2C known ✓ | P18825 | 3/20 | 0.45 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL10667983 | 0.98 | TAAR1 (0.57) | TAAR1TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL3657993 | 0.87 | TAAR1 (0.55) | TAAR1TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL4729485 | 0.83 | TAAR1 (0.55) | TAAR1TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL10341070 | 0.80 | TAAR1 (0.52) | TAAR1TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL13667320 | 0.79 | TAAR1 (0.50) | TAAR1TSHRADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL14718589 | 0.77 | RAB9A (0.51) | TAAR1ADRA2AADRA2BADRA2CHTT | |
| Hydrochloric Acid SCHEMBL2712848 | 0.77 | RAB9A (0.51) | TAAR1ADRA2AADRA2BADRA2CHTT | |
| SCHEMBL28101286 | 0.76 | TAAR1 (0.52) | TAAR1TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL27902574 | 0.76 | TAAR1 (0.52) | TAAR1TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL20135772 | 0.76 | TAAR1 (0.73) | TAAR1TSHRADRA2AADRA2BADRA2C |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1162426-C | Thienylalkylamino-1,3-5-triazines and the use thereof as herbicides | — | 2004-08-18 | — | — | CN | disclosed |
| US-6420313-B1 | DEFOLIANTS, DESICCANTS; CONTROLLING WEEDS, SUCH AS MONOCOTYLEDONS AND DICOTYLEDONS IN CROP FIELDS; PRE- AND POST-EMERGENCE; CYCLIZATION AND ALKYLATION OF A BIGUANIDE AND AN ALKOXYCARBONYL COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-16 | — | — | US | disclosed |
| CN-1349382-A | Use of N-substituted heterocyclylalkylamines as herbicides, and novel N-substituted thienylalkylamines | BAYER AG (DE) | 2002-05-15 | — | — | CN | disclosed |
| EP-1198172-A1 | USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES | Bayer Aktiengesellschaft (DE) | 2002-04-24 | — | — | EP | disclosed |
| CN-1296484-A | Thienylalkylamino-1,3-5-triazines and the use thereof as herbicides | BAYER AG (DE) | 2001-05-23 | — | — | CN | disclosed |
| EP-1087965-A1 | THIENYLALKYLAMINO-1,3,5-TRIAZINES AND THE USE THEREOF AS HERBICIDES | BAYER AG (DE) | 2001-04-04 | — | — | EP | disclosed |
| WO-2000065916-A1 | USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-09 | — | — | WO | disclosed |
| WO-1999052904-A1 | THIENYLALKYLAMINO-1,3,5-TRIAZINES AND THE USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-21 | — | — | WO | disclosed |