Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenylacetic Acid. 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 | 1/20 | 0.48 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.48 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.68 |
| ▸ | CES2 | O00748 | 2/20 | 0.68 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.57 |
| ▸ | FNTA | P49354 | 1/20 | 0.56 |
| ▸ | FNTB | P49356 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL7214226 | 0.97 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL62440 | 0.97 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL29766219 | 0.95 | CES1 (0.68) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL78312 | 0.92 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL6930085 | 0.92 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL11772449 | 0.92 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL1685642 | 0.92 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL11248694 | 0.92 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL6547052 | 0.92 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 | |
| Phenylacetic Acid SCHEMBL3477184 | 0.92 | CES1 (0.71) | CES1CES2AKR1B1HDAC8HDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0006284-B1 | RACEMIZING OF OPTICALLY ACTIVE ALPHA-SUBSTITUTED-ALPHA-PHENYLACETIC ACIDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-04-08 | — | — | EP | disclosed |
| US-4245116-A | REACTING WITH AN ALKALI METAL OR ALKALINE EARTH METAL HYDROXIDE OR CARBONATE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-01-13 | — | — | US | disclosed |
| US-4237313-A | HEATING TO 150C | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-12-02 | — | — | US | disclosed |
| EP-0006284-A1 | Racemizing of optically active alpha-substituted-alpha-phenylacetic acids | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-01-09 | — | — | EP | disclosed |