Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.54 |
| ▸ | PAM | P19021 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | NSD2 | O96028 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 SCHEMBL27735060 | 1.00 | AKR1B1 (0.81) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL27758886 | 0.90 | AKR1B1 (1.00) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL1459 | 0.90 | AKR1B1 (1.00) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL13618842 | 0.90 | AKR1B1 (1.00) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL1330777 | 0.90 | AKR1B1 (1.00) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL28242469 | 0.90 | AKR1B1 (1.00) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL9449909 | 0.90 | AKR1B1 (1.00) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL4441542 | 0.87 | AKR1B1 (0.94) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL11772456 | 0.87 | AKR1B1 (0.94) | AKR1B1TSHRABCC4LMNAGAA | |
| Phenylacetic Acid SCHEMBL4452246 | 0.87 | AKR1B1 (0.94) | AKR1B1TSHRABCC4LMNAGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105793261-B | pyrazolopyrimidine compounds | 大学健康网络 | 2018-11-30 | — | — | CN | disclosed |