Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Safrole SCHEMBL2039562 | 0.89 | CYP3A4 (1.00) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL29368306 | 0.89 | CYP3A4 (1.00) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL56828 | 0.89 | CYP3A4 (1.00) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL27814983 | 0.87 | CYP3A4 (0.96) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL27722328 | 0.87 | CYP3A4 (0.96) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL28606225 | 0.87 | CYP3A4 (0.96) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL27675446 | 0.87 | CYP3A4 (0.96) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL28422104 | 0.84 | CYP3A4 (0.90) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| Safrole SCHEMBL27566359 | 0.84 | CYP3A4 (0.90) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL1468162 | 0.82 | MAPT (0.55) | MAPTCYP3A4CYP1A2CYP2D6ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020224396-A1 | COMPOUNDS INHIBITING TDG ACTIVITY | 上海仕谱生物科技有限公司 | 2020-11-12 | — | — | WO | disclosed |
| US-6063940-A | Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| US-5637736-A | Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-06-10 | — | — | US | disclosed |
| EP-0637580-A1 | Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1995-02-08 | — | — | EP | disclosed |