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 | 2/20 | 0.44 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.44 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.44 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.44 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5320216 | 0.83 | FUT7 (0.72) | FUT7CA2SMN1; SMN2ESR1ADRA2A | |
| SCHEMBL5322295 | 0.83 | FUT7 (0.72) | FUT7CA2SMN1; SMN2ESR1ADRA2A | |
| SCHEMBL6910582 | 0.83 | FUT7 (0.72) | FUT7CA2SMN1; SMN2ESR1ADRA2A | |
| Phenol SCHEMBL10936973 | 0.78 | THRA (0.41) | FUT7ESR1PTGS2 | |
| SCHEMBL1980097 | 0.78 | CA2 (0.49) | CA2SMN1; SMN2ALDH1A1HSD17B10CNR2 | |
| Phenol SCHEMBL2170631 | 0.77 | ESR1 (0.70) | CA2ESR1ADRA2AADORA3TACR2 | |
| Butylbenzyl SCHEMBL1062490 | 0.76 | CA2 (0.56) | CA2SMN1; SMN2ALDH1A1HSD17B10CNR2 | |
| SCHEMBL3621448 | 0.76 | CA2 (0.54) | CA2SMN1; SMN2ALDH1A1HSD17B10KDM4E | |
| Butylbenzyl SCHEMBL27329091 | 0.75 | ESR1 (0.61) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Butylbenzyl SCHEMBL28273226 | 0.75 | ESR1 (0.61) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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-4502540-A | Tertiary oil recovery | MOBIL OIL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-3971439-A | Designing micellar displacement systems to minimize adsorption | MARATHON OIL COMPANY (US) | 1976-07-27 | — | — | US | disclosed |