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 | 1/20 | 0.40 |
| ▸ | PDE7A known ✓ | Q13946 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL34346 | 0.97 | CYP3A4 (0.65) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL3326593 | 0.88 | ALDH1A1 (0.65) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL3246649 | 0.85 | MAPT (0.67) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL11172315 | 0.84 | CYP3A4 (0.58) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL3238178 | 0.84 | CYP3A4 (0.58) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL8499186 | 0.83 | CYP3A4 (0.68) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL8738051 | 0.83 | ACHE (0.68) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| SCHEMBL7225718 | 0.81 | ALDH1A1 (0.70) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| 4,4'-Methylenedianiline SCHEMBL3358403 | 0.81 | CYP3A4 (0.70) | CYP3A4TSHRMAPK1MEN1KMT2A | |
| 4,4'-Thiodianiline SCHEMBL8646940 | 0.80 | CYP3A4 (0.93) | CYP3A4TSHRMAPK1MEN1KMT2A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1225205-B1 | Carbon black reacted with diazonium salts and products | CABOT CORP (US) | 2010-10-06 | — | — | EP | disclosed |
| EP-1942156-B1 | Carbon black reacted with diazonium salts and products | CABOT CORP (US) | 2010-04-14 | — | — | EP | disclosed |
| EP-1942156-A1 | Carbon black reacted with diazonium salts and products | Cabot Corporation (US) | 2008-07-09 | — | — | EP | disclosed |
| US-7294185-B2 | In absence of exterior applies electrical current; wear resistance | CABOT CORPORATION (US) | 2007-11-13 | — | — | US | disclosed |
| EP-0799281-B2 | CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS | CABOT CORP (US) | 2006-03-29 | — | — | EP | disclosed |
| US-20050034629-A1 | In absence of exterior applies electrical current; wear resistance | BELMONT JAMES A (US) | 2005-02-17 | — | — | US | disclosed |
| US-6740151-B2 | IN THE ABSENCE OF AN EXTERNALLY APPLIED ELECTRIC CURRENT SUFFICIENT TO REDUCE THE DIAZONIUM SALT AND ATTACH AN ORGANIC GROUP; IMPROVED ABRASION RESISTANCE. | CABOT CORPORATION | 2004-05-25 | — | — | US | disclosed |
| US-20030095914-A1 | In the absence of an externally applied electric current sufficient to reduce the diazonium salt and attach an organic group; improved abrasion resistance. | BELMONT JAMES A (US) | 2003-05-22 | — | — | US | disclosed |
| US-6494946-B1 | PROCESSES FOR PREPARING A CARBON BLACK PRODUCT HAVING AN ORGANIC GROUP ATTACHED TO THE CARBON BLACK. IN ONE PROCESS AT LEAST ONE DIAZONIUM SALT REACTS WITH A CARBON BLACK IN THE ABSENCE OF AN EXTERNALLY APPLIED ELECTRIC CURRENT SUFFICIENT | CABOT CORPORATION | 2002-12-17 | — | — | US | disclosed |
| EP-0799281-B1 | CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS | CABOT CORP (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1225205-A2 | Carbon black reacted with diazonium salts and products | CABOT CORPORATION (US) | 2002-07-24 | — | — | EP | disclosed |
| US-6042643-A | AS PIGMENT TO COLOR PLASTICS, PAPER, TEXTILE, RUBBER, AQUEOUS INKS | CABOT CORPORATION (US) | 2000-03-28 | — | — | US | disclosed |
| US-5900029-A | COLORING FIBER OR TEXTILE | CABOT CORPORATION (US) | 1999-05-04 | — | — | US | disclosed |
| US-5851280-A | Reaction of carbon black with diazonium salts, resultant carbon black products and their uses | CABOT CORPORATION (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0799281-A1 | CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS | CABOT CORPORATION (US) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996018688-A1 | CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS | CABOT CORPORATION (US) | 1996-06-20 | — | — | WO | disclosed |
| US-5342724-A | Preparing polyester from diol and diacid wherein one of the monomers has disulfuide linkage, reacting polyester with unsaturated monomer to create addition polymer blocks linked by sulfide group from dislufide linkage | EASTMAN KODAK COMPANY (US) | 1994-08-30 | — | — | US | disclosed |