Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTPRF | P10586 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LIG1 | P18858 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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) | CYP3A4KMT2AALDH1A1TSHRHSD17B10 | |
| SCHEMBL1079613 | 0.78 | CYP3A4 (0.41) | CYP3A4MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL11015523 | 0.76 | MAOA (0.53) | CYP3A4MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL17868852 | 0.76 | HPGD (0.50) | CYP3A4MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL17868849 | 0.76 | CYP3A4 (0.40) | CYP3A4MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL1493085 | 0.76 | CYP3A4 (0.40) | CYP3A4ALDH1A1TSHRHSD17B10CYP1A2 | |
| SCHEMBL17868847 | 0.76 | CES2 (0.43) | CYP3A4MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL29712376 | 0.75 | MEN1 (0.37) | MEN1KMT2ATDP1ALDH1A1TSHR | |
| SCHEMBL11877898 | 0.74 | GABRA1 (0.44) | CYP3A4MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL6470793 | 0.74 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRHSD17B10CYP1A2 |
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 |