Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.61 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.65 |
| ▸ | FABP3 | P05413 | 6/20 | 0.58 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Stearic Acid SCHEMBL19410799 | 0.96 | NFKB1 (0.68) | NFKB1GPR84CA1CA2FABP3 | |
| Lignoceric Acid SCHEMBL4889106 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Tridecanoate SCHEMBL1852615 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Palmitic Acid SCHEMBL1332725 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Hexacosanoic Acid SCHEMBL6568273 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Octanoic Acid SCHEMBL1332721 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Palmitic Acid SCHEMBL1958881 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Heptanoate SCHEMBL105464 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Octanoic Acid SCHEMBL56211 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 | |
| Stearic Acid SCHEMBL583901 | 0.87 | CA1 (0.80) | NFKB1GPR84CA1FABP3CES2 |
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-1713432-A2 | PHENYLETHYL BENZOATE FOR USE IN COSMETICS, TOILETRIES AND PERSONAL CARE PRODUCTS | FINETEX, INC. (US) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005069822-A2 | PHENYLETHYL BENZOATE FOR USE IN COSMETICS, TOILETRIES AND PERSONAL CARE PRODUCTS | FINETEX, INC. (US) | 2005-08-04 | — | — | WO | disclosed |