Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| Phenoxyethanol SCHEMBL28169463 | 0.77 | ALDH1A1 (0.91) | RECQLALDH1A1GAAALOX15MTNR1A | |
| Phenoxyethanol SCHEMBL16974335 | 0.77 | ALDH1A1 (0.91) | RECQLALDH1A1GAAALOX15MTNR1A | |
| Phenoxyethanol SCHEMBL3838821 | 0.77 | ALDH1A1 (0.91) | RECQLALDH1A1GAAALOX15PKM | |
| Phenoxyethanol SCHEMBL15708 | 0.77 | ALDH1A1 (1.00) | RECQLALDH1A1GAAALOX15MTNR1A | |
| Phenoxyethanol SCHEMBL167128 | 0.77 | ALDH1A1 (1.00) | RECQLALDH1A1GAAALOX15MTNR1A | |
| Phenoxyethanol SCHEMBL27476573 | 0.77 | ALDH1A1 (1.00) | RECQLALDH1A1GAAALOX15MTNR1A | |
| Phenoxyethanol SCHEMBL9349725 | 0.77 | ALDH1A1 (1.00) | RECQLALDH1A1GAAALOX15MTNR1A | |
| Edetic Acid SCHEMBL5613378 | 0.77 | ALDH1A1 (0.58) | RECQLALDH1A1GAAALOX15MTNR1A | |
| SCHEMBL20214269 | 0.76 | HDAC1 (0.56) | RECQLALDH1A1PKMRAB9ANPC1 | |
| SCHEMBL4438868 | 0.76 | MTNR1A (0.43) | GAAMTNR1AMTNR1BPKMCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2124871-A2 | FORMULATION FOR INCREASING THE ACTIVITY OF A PLANT EXTRACT FOR COSMETIC USE AND COSMETIC PREPARATION WHICH COMPRISES THE SAME | LABO Cosprophar AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008104570-A2 | FORMULATION FOR INCREASING THE ACTIVITY OF A PLANT EXTRACT FOR COSMETIC USE AND COSMETIC PREPARATION WHICH COMPRISES THE SAME | LABO COSPROPHAR AG (CH) | 2008-09-04 | — | — | WO | disclosed |