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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.39 |
| ▸ | PRKCI known ✓ | P41743 | 1/20 | 0.36 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 3/20 | 0.40 |
| ▸ | AOC1 | P19801 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7130278 | 1.00 | MAPT (0.40) | MAPTMEN1KMT2ARECQLAOC1 | |
| Hydrochloric Acid SCHEMBL6741153 | 1.00 | MAPT (0.40) | MAPTMEN1KMT2ARECQLAOC1 | |
| SCHEMBL143013 | 0.97 | LOXL2 (0.42) | MAPTMEN1KMT2ARECQLAOC1 | |
| Sulfuric Acid SCHEMBL6680851 | 0.85 | ALDH1A1 (0.55) | MAPTMEN1KMT2ARECQLTDP1 | |
| SCHEMBL4799943 | 0.82 | GAA (0.39) | MAPTMEN1KMT2AUSP2POLB | |
| SCHEMBL18469203 | 0.80 | TAAR1 (0.40) | MAPTMEN1KMT2ARECQLTDP1 | |
| SCHEMBL1354264 | 0.80 | CASP1 (0.42) | MAPTMEN1KMT2ARECQLTDP1 | |
| SCHEMBL3786331 | 0.79 | CYP3A4 (0.48) | MAPTMEN1KMT2ATDP1POLB | |
| SCHEMBL10952738 | 0.79 | CASP1 (0.40) | MAPTMEN1KMT2ARECQLTDP1 | |
| SCHEMBL5253257 | 0.79 | MAPT (0.46) | MAPTMEN1KMT2ARECQLTDP1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1310479-B1 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof | WELLA AG (DE) | 2004-10-27 | — | — | EP | claimed |
| EP-1310479-A1 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof | Wella Aktiengesellschaft (DE) | 2003-05-14 | — | — | EP | claimed |
| EP-1110942-A2 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers | Wella Aktiengesellschaft (DE) | 2001-06-27 | — | — | EP | claimed |
| EP-1310479-B1 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof | WELLA AG (DE) | 2004-10-27 | — | — | EP | disclosed |
| EP-1110942-B1 | Use of 2-aminomethyl-1,4-diamino-benzene and salts thereof in dyeing composition for keratin fibers | WELLA AG (DE) | 2003-10-01 | — | — | EP | disclosed |
| EP-1310479-A1 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof | Wella Aktiengesellschaft (DE) | 2003-05-14 | — | — | EP | disclosed |
| EP-1310479-A1 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof | Wella Aktiengesellschaft (DE) | 2003-05-14 | — | — | EP | disclosed |
| US-6461390-B1 | Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same | WELLA AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| US-6461390-B1 | Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same | WELLA AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| EP-1110942-A3 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers | Wella Aktiengesellschaft (DE) | 2002-02-06 | — | — | EP | disclosed |
| EP-1110942-A2 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers | Wella Aktiengesellschaft (DE) | 2001-06-27 | — | — | EP | disclosed |
| EP-1110942-A2 | Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers | Wella Aktiengesellschaft (DE) | 2001-06-27 | — | — | EP | disclosed |
| JP-2001172231-A | METHOD FOR PRODUCING 2-AMINOMETHYL-1,4-DIAMINO-BENZENE AND ITS SALT AND USE OF THESE COMPOUNDS AS DYEING AGENT FOR KERATIN FIBER | WELLA AG | 2001-06-26 | — | — | JP | disclosed |