Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenol. 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 | 4/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.39 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL21985897 | 0.82 | RECQL (0.61) | CA2CA9CA1GLACA12 | |
| SCHEMBL2313305 | 0.80 | — | — | |
| Phenol SCHEMBL28096986 | 0.80 | ESR1 (0.42) | CA2CA9CA1GLACA12 | |
| Phenol SCHEMBL27566168 | 0.79 | TSHR (0.67) | CA2CA9CA1GLACA12 | |
| Phenol SCHEMBL27985589 | 0.79 | TSHR (0.67) | CA2CA9CA1GLACA12 | |
| Phenol SCHEMBL28305092 | 0.77 | CA12 (0.50) | CA2CA9CA1GLACA12 | |
| Phenol SCHEMBL28240227 | 0.76 | ESR1 (0.43) | CA2CA9CA1GLACA12 | |
| Lithium Ion SCHEMBL16146112 | 0.76 | — | — | |
| SCHEMBL4523290 | 0.76 | RECQL (0.43) | GLARECQLHPGDTSHRMAPK1 | |
| SCHEMBL7603680 | 0.76 | — | — |
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-101684563-A | Electroplating additive for diamond grinding tool | CHANGXING DIAMOND ABRASIVES CO | 2010-03-31 | — | — | CN | claimed |
| CN-106119904-A | A kind of heavy duty detergent electroplate liquid additive | 太仓市凯福士机械有限公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-101684563-A | Electroplating additive for diamond grinding tool | CHANGXING DIAMOND ABRASIVES CO | 2010-03-31 | — | — | CN | disclosed |
| CN-101684563-A | Electroplating additive for diamond grinding tool | CHANGXING DIAMOND ABRASIVES CO | 2010-03-31 | — | — | CN | disclosed |