Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | CMA1 | P23946 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL108109 | 0.90 | TAAR1 (0.62) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| SCHEMBL50478 | 0.88 | TAAR1 (0.60) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| SCHEMBL29642903 | 0.88 | TAAR1 (0.60) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| SCHEMBL109195 | 0.88 | TAAR1 (0.64) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| Methylene Chloride SCHEMBL29186228 | 0.86 | TAAR1 (0.58) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| Methane SCHEMBL27598295 | 0.86 | TAAR1 (0.58) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| (Chloromethyl)Benzene SCHEMBL29067201 | 0.84 | HPGD (0.55) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| SCHEMBL1422874 | 0.83 | ALDH1A1 (0.58) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| Carbon Tetrachloride SCHEMBL27970901 | 0.83 | TAAR1 (0.55) | TAAR1SLC6A4CYP3A4CYP1A2MAPT | |
| Hydrochloric Acid SCHEMBL4942544 | 0.81 | ALDH1A1 (0.56) | TAAR1SLC6A4CYP3A4CYP1A2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516777-A | PROSTATE CANCER THERAPY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| US-5409928-A | Prostate diseases, alopecia | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-25 | — | — | US | disclosed |
| EP-0594149-A2 | Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |