Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.71 |
| ▸ | CES2 | O00748 | 2/20 | 0.71 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.64 |
| ▸ | FNTA | P49354 | 1/20 | 0.58 |
| ▸ | FNTB | P49356 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 SCHEMBL4452245 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL11772449 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL78312 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL11248694 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL6547052 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL1685642 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL6930085 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL7214226 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL3477184 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB | |
| Phenylacetic Acid SCHEMBL62440 | 0.95 | CES1 (0.71) | CES1CES2AKR1B1FNTAFNTB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101716523-A | Palladium phenylacetate composite phase transfer catalysis system synthesized by carbonylation of benzyl chloride | YANAN CHANGTAI PHARMACEUTICAL | 2010-06-02 | — | — | CN | disclosed |
| CN-101716523-A | Palladium phenylacetate composite phase transfer catalysis system synthesized by carbonylation of benzyl chloride | YANAN CHANGTAI PHARMACEUTICAL | 2010-06-02 | — | — | CN | disclosed |