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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.47 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | CCKAR | P32238 | 1/20 | 0.47 |
| ▸ | HTR5A | P47898 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6802813 | 0.84 | HTR1A (0.54) | KAT6AHTR1AADORA3CCKARHTR5A | |
| SCHEMBL7336149 | 0.72 | MAPT (0.66) | MEN1TP53MAPTKMT2AKDM4E | |
| SCHEMBL3193250 | 0.72 | MAPT (0.66) | MEN1TP53MAPTKMT2AKDM4E | |
| Methylparaben SCHEMBL27781967 | 0.72 | CA1 (0.69) | MEN1MAPTKMT2AALDH1A1CA12 | |
| Phenol SCHEMBL9856258 | 0.71 | SMPD3 (0.50) | KAT6AERN1MEN1MAPTKMT2A | |
| SCHEMBL27905638 | 0.71 | KAT6A (0.58) | KAT6AHTR1AADORA3CCKARHTR5A | |
| Phenol SCHEMBL28144864 | 0.71 | KAT6A (0.50) | KAT6AHTR1AADORA3CCKARHTR5A | |
| SCHEMBL31222146 | 0.70 | KAT6A (0.57) | KAT6AHTR1AADORA3CCKARHTR5A | |
| SCHEMBL940399 | 0.70 | KAT6A (0.57) | KAT6AHTR1AADORA3CCKARHTR5A | |
| SCHEMBL6434807 | 0.70 | ERN1 (0.61) | ERN1GABRG2GABRB3GABRA5GABRA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103446725-B | Golf | 邓禄普体育用品株式会社 | 2016-08-10 | — | — | CN | disclosed |