Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenoxyethanol. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9187580 | 0.87 | CHRNB4 (0.47) | ALDH1A1SMN1; SMN2HTTKMT2ANPC1 | |
| SCHEMBL1217133 | 0.84 | ALDH1A1 (0.52) | ALDH1A1RECQLSMN1; SMN2HTTNPC1 | |
| SCHEMBL9359724 | 0.82 | ALDH1A1 (0.50) | ALDH1A1RECQLSMN1; SMN2HTTNPC1 | |
| SCHEMBL8381611 | 0.82 | ALDH1A1 (0.50) | ALDH1A1RECQLSMN1; SMN2HTTNPC1 | |
| SCHEMBL9359723 | 0.82 | ALDH1A1 (0.50) | ALDH1A1RECQLSMN1; SMN2HTTNPC1 | |
| SCHEMBL10867234 | 0.82 | POLB (0.44) | ALDH1A1KMT2ATP53GAAL3MBTL1 | |
| SCHEMBL9440861 | 0.82 | ALDH1A1 (0.53) | ALDH1A1RECQLSMN1; SMN2HTTKMT2A | |
| Phenoxyethanol SCHEMBL28868456 | 0.82 | ALDH1A1 (0.79) | ALDH1A1RECQLKMT2ANPC1TP53 | |
| Phenoxyethanol SCHEMBL5769895 | 0.82 | ALDH1A1 (0.79) | ALDH1A1RECQLSMN1; SMN2NPC1RAB9A | |
| Di(Hydroxyethyl)Ether SCHEMBL4283930 | 0.80 | ALDH1A1 (0.50) | ALDH1A1RECQLSMN1; SMN2HTTKMT2A |
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-RE31343-E | STABILIZERS FOR POLYMERS | CIBA-GEIGY CORPORATION (US) | 1983-08-09 | — | — | US | disclosed |
| US-RE31342-E | STABILIZERS FOR POLYMERS | CIBA-GEIGY CORPORATION (US) | 1983-08-09 | — | — | US | disclosed |