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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28363361 | 0.91 | TP53 (0.48) | TP53CA2RECQLGLAHPGD | |
| SCHEMBL28854278 | 0.91 | TP53 (0.48) | TP53CA2RECQLGLAHPGD | |
| SCHEMBL7758300 | 0.91 | TP53 (0.48) | TP53CA2RECQLGLAHPGD | |
| SCHEMBL9575743 | 0.86 | TSHR (0.36) | TP53CA2RECQLGLAHPGD | |
| SCHEMBL28543936 | 0.82 | TP53 (0.44) | TP53CA2TSHRCA1NR1I2 | |
| SCHEMBL28490537 | 0.79 | GMNN (0.46) | TP53TSHRMAPK1ENPEPALDH1A1 | |
| SCHEMBL27767212 | 0.79 | TP53 (0.43) | TP53CA2RECQLGLAHPGD | |
| SCHEMBL17495625 | 0.78 | TP53 (0.46) | TP53CA2TSHRCA1OPRM1 | |
| SCHEMBL28565874 | 0.77 | LMNA (0.44) | TP53CA2TSHRMAPK1BLM | |
| SCHEMBL2185910 | 0.76 | TP53 (0.45) | TP53CA2CA1OPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110214789-A | A kind of Synergistic type glyphosate herbicidal | 轩凯生物科技(滁州)有限公司 | 2019-09-10 | — | — | CN | claimed |
| CN-106065526-A | For improving penetrating agent and the using method of dark fine count fiber fabric color fastness | 广东汇益纺织有限公司 | 2016-11-02 | — | — | CN | claimed |
| CN-119060000-A | Method for preparing 5-hydroxymethylfurfural through fructose dehydration | 湖北兴发化工集团股份有限公司 | 2024-12-03 | — | — | CN | disclosed |