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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.31 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.31 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.30 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.30 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.30 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28564896 | 0.92 | PABPC1 (0.36) | HPGDCA12CA1CA2CA7 | |
| SCHEMBL1642775 | 0.81 | S1PR1 (0.37) | HPGDLTA4H | |
| SCHEMBL12468573 | 0.79 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9840841 | 0.76 | ALDH1A1 (0.49) | CA1CA2CA9TSHR | |
| SCHEMBL2885917 | 0.76 | S1PR1 (0.39) | HPGDCA12CA1CA2CA7 | |
| SCHEMBL2887394 | 0.75 | ALDH1A1 (0.41) | HPGDLTA4H | |
| SCHEMBL3364128 | 0.74 | KCNA3 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2885629 | 0.73 | ALDH1A1 (0.43) | CA12CA1CA2CA9TSHR | |
| SCHEMBL2882517 | 0.73 | ALDH1A1 (0.43) | CA12CA1CA2CA9TSHR | |
| SCHEMBL2885494 | 0.73 | ALDH1A1 (0.43) | CA12CA1CA2CA9TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107337782-B | Cement-based material dispersant suitable for low-temperature construction and preparation method thereof | 江苏苏博特新材料股份有限公司 | 2021-04-20 | — | — | CN | disclosed |
| US-20200176762-A1 | ELECTRON CONDUCTIVE POLYMER COMPOSITES AND THEIR USE AS ELECTRODE MATERIALS | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION | 2020-06-04 | — | — | US | disclosed |
| EP-0918766-B1 | SELF-ACID-DOPED HIGHLY CONDUCTING POLYTHIOPHENES | UNIV MONTREAL (CA) | 2002-02-06 | — | — | EP | disclosed |
| US-6051679-A | A META-ALKYLSULFONATE OR META-ALKYLSULFONIC ACID MONOMER CONTAINING POLYTHIOPHENE; POLYMERIZED BY OXIDATIVE DOPING OF THE MONOMER | UNIVERSITEDE MONTREAL (CA) | 2000-04-18 | — | — | US | disclosed |