Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.55 |
| ▸ | NAMPT | P43490 | 2/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL24162297 | 0.84 | ALDH1A1 (0.56) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL9579600 | 0.83 | CYP1A2 (0.61) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL10154019 | 0.83 | CYP1A2 (0.61) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL26333386 | 0.83 | CYP1A2 (0.61) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL967538 | 0.83 | CYP3A4 (1.00) | CYP3A4CYP1A2CYP2C9CYP2C19RECQL | |
| SCHEMBL8401889 | 0.81 | CYP1A2 (0.63) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 | |
| Hydrochloric Acid SCHEMBL2996773 | 0.81 | CYP3A4 (0.97) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL83186 | 0.81 | RECQL (0.62) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL17591688 | 0.81 | NAMPT (0.66) | CYP3A4CYP1A2CYP2C9CYP2C19NAMPT | |
| SCHEMBL12561403 | 0.81 | CYP3A4 (0.67) | CYP3A4CYP1A2CYP2C9CYP2C19TBXAS1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0694546-B1 | Substituted dibenzoxazepine compounds, pharmaceutical compositions and use | SEARLE & CO (US) | 2001-06-06 | — | — | EP | disclosed |
| EP-0694545-B1 | Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use | SEARLE & CO (US) | 2000-07-26 | — | — | EP | disclosed |
| US-5576315-A | Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia | G.D. SEARLE & CO. (US) | 1996-11-19 | — | — | US | disclosed |
| EP-0694545-A2 | Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use | G.D. SEARLE & CO. (US) | 1996-01-31 | — | — | EP | disclosed |
| EP-0694546-A2 | Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use | G.D. SEARLE & CO. (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5464830-A | ANALGESICS | G. D. SEARLE & CO. (US) | 1995-11-07 | — | — | US | disclosed |
| US-5378840-A | Substituted dibenzoxazepine compounds | G. D. SEARLE & CO. (US) | 1995-01-03 | — | — | US | disclosed |
| WO-1992019617-A2 | SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE | G.D. SEARLE & CO. (US) | 1992-11-12 | — | — | WO | disclosed |
| EP-0512400-A1 | Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use | G.D. Searle & Co. (US) | 1992-11-11 | — | — | EP | disclosed |