Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9678327 | 0.85 | CYP3A4 (0.47) | HPGDCYP1A2ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL7924188 | 0.78 | HPGD (0.57) | HPGDCYP1A2CES2CES1ALDH1A1 | |
| SCHEMBL1079613 | 0.78 | CYP3A4 (0.41) | HPGDALDH1A1CYP3A4POLBCYP2C19 | |
| SCHEMBL17868847 | 0.76 | CES2 (0.43) | HPGDCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL1493085 | 0.76 | CYP3A4 (0.40) | HPGDCYP1A2ALDH1A1CYP3A4TSHR | |
| SCHEMBL11015523 | 0.76 | MAOA (0.53) | HPGDALDH1A1CYP3A4ERCC5FEN1 | |
| SCHEMBL17868845 | 0.76 | CYP3A4 (0.40) | HPGDCYP1A2ALDH1A1CYP3A4TSHR | |
| SCHEMBL17868849 | 0.76 | CYP3A4 (0.40) | HPGDALDH1A1CYP3A4POLBTSHR | |
| SCHEMBL8444340 | 0.75 | CES2 (0.46) | HPGDCYP1A2CES2CES1ALDH1A1 | |
| SCHEMBL23864304 | 0.75 | P2RX7 (0.35) | HPGDCYP1A2CYP3A4ERCC5FEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20160186217-A1 | METHOD FOR BIOCATALYTIC SYNTHESIS OF SUBSTITUTED OR UNSUBSTITUTED PHENYLACETIC ACIDS AND KETONES HAVING ENZYMES OF MICROBIAL STYRENE DEGRADATION | TECHNISCHE UNIVERSITAT BERGAKADEMIE FREIBERG (DE) | 2016-06-30 | — | — | US | disclosed |