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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.44 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL384618 | 0.89 | TDP1 (0.39) | CA2NQO2TDP1CYP1A2CYP2C19 | |
| SCHEMBL501669 | 0.82 | NR1I2 (0.43) | CA2NQO2CYP2D6MEN1HPGD | |
| SCHEMBL29478300 | 0.82 | NR1I2 (0.43) | CA2NQO2CYP2D6MEN1HPGD | |
| SCHEMBL30355311 | 0.82 | TDP1 (0.46) | CA2NQO2TDP1CYP1A2CYP2C19 | |
| SCHEMBL384178 | 0.82 | TDP1 (0.46) | CA2NQO2TDP1CYP1A2CYP2C19 | |
| SCHEMBL974523 | 0.81 | TDP1 (0.45) | CA2NQO2TDP1CYP1A2CYP2C19 | |
| Sulfuric Acid SCHEMBL11511244 | 0.75 | CA2 (0.51) | CA2NQO2TDP1CYP1A2CYP2C19 | |
| Sulfuric Acid SCHEMBL27445633 | 0.75 | CA2 (0.51) | CA2NQO2TDP1CYP1A2CYP2C19 | |
| SCHEMBL2128362 | 0.75 | CYP1A2 (0.52) | CA2TDP1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL973165 | 0.74 | CDYL (0.43) | CA2NQO2TDP1CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7871761-B2 | Resist lower layer material, resist lower layer substrate comprising the material and method for forming pattern | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-01-18 | — | — | US | disclosed |
| US-20080032231-A1 | Resist lower layer material, resist lower layer substrate comprising the material and method for forming pattern | SHIN-ETSU CHEMICAL CO., LTD. | 2008-02-07 | — | — | US | disclosed |