Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.41 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.41 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7810611 | 0.78 | FDPS (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19FDPS | |
| SCHEMBL7806520 | 0.73 | FDPS (0.47) | CYP1A2KDM4ECYP2C19P2RX7FDPS | |
| SCHEMBL968125 | 0.72 | CYP1A2 (0.62) | CYP1A2CYP3A4KDM4EMPOADORA3 | |
| Hydrochloric Acid SCHEMBL6870708 | 0.71 | CYP1A2 (0.61) | CYP1A2CYP3A4KDM4EMPOADORA3 | |
| Trifluoroacetic Acid SCHEMBL3489268 | 0.69 | ALDH1A1 (0.47) | CYP1A2CYP3A4KDM4EMPOADORA3 | |
| Pyrazine SCHEMBL27804684 | 0.69 | CYP1A2 (0.40) | CYP1A2CYP3A4KDM4EMPOADORA3 | |
| SCHEMBL6309152 | 0.68 | FDPS (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19FDPS | |
| SCHEMBL3614049 | 0.68 | NAMPT (0.56) | CYP3A4NAMPTHSD17B10RAB9AALDH1A1 | |
| SCHEMBL8448238 | 0.68 | KDM4E (0.42) | CYP1A2CYP3A4KDM4EMPOADORA3 | |
| SCHEMBL31336881 | 0.67 | FDPS (0.47) | CYP1A2CYP3A4KDM4EMPOADORA3 |
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 |