Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.43 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.43 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.44 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3248064 | 0.86 | TSHR (0.54) | TSHRKCNH2KCNJ1IDO1LOXL2 | |
| SCHEMBL9861066 | 0.84 | IDO1 (0.54) | TSHRIDO1LOXL2CA1CA2 | |
| SCHEMBL693396 | 0.81 | TSHR (0.51) | TSHRKCNH2KCNJ1IDO1LOXL2 | |
| SCHEMBL874787 | 0.81 | TSHR (0.51) | TSHRKCNH2KCNJ1IDO1LOXL2 | |
| SCHEMBL9861078 | 0.81 | IDO1 (0.54) | TSHRIDO1LOXL2CA1CA2 | |
| SCHEMBL17595745 | 0.77 | CA2 (0.64) | TSHRKCNH2KCNJ1IDO1LOXL2 | |
| SCHEMBL18045536 | 0.76 | HTT (0.62) | TSHRCA1CA2CA9CYP1A2 | |
| Alcohol SCHEMBL11364447 | 0.76 | TSHR (0.54) | TSHRKCNH2KCNJ1IDO1LOXL2 | |
| SCHEMBL3656180 | 0.76 | TSHR (0.62) | TSHRKCNH2KCNJ1IDO1LOXL2 | |
| SCHEMBL10706388 | 0.75 | CA2 (0.59) | IDO1CA1CA2CA12CA4 |
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 16 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 |