Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
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) | ALDH1A1CYP3A4KMT2AMAPTHPGD | |
| SCHEMBL8519581 | 0.78 | PTPN1 (0.53) | CES2CES1ALDH1A1ALOX15CYP3A4 | |
| SCHEMBL10628115 | 0.78 | CES2 (0.42) | CES2CES1ALDH1A1ALOX15CYP3A4 | |
| SCHEMBL1079613 | 0.78 | CYP3A4 (0.41) | ALDH1A1ALOX15CYP3A4GAAMEN1 | |
| SCHEMBL1493085 | 0.76 | CYP3A4 (0.40) | ALDH1A1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL17868845 | 0.76 | CYP3A4 (0.40) | ALDH1A1CYP3A4PTPN1MEN1KMT2A | |
| SCHEMBL11015523 | 0.76 | MAOA (0.53) | ALDH1A1CYP3A4ERCC5FEN1MEN1 | |
| SCHEMBL17868849 | 0.76 | CYP3A4 (0.40) | ALDH1A1CYP3A4MEN1KMT2ANPC1 | |
| SCHEMBL17868852 | 0.76 | HPGD (0.50) | CES2CES1ALDH1A1CYP3A4ERCC5 | |
| SCHEMBL21782536 | 0.76 | — | — |
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 |