Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | GABRA1 | P14867 | 10/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 10/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 10/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 10/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 10/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 9/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRE | P78334 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15024705 | 0.90 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL8871074 | 0.89 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL7278462 | 0.87 | ALDH1A1 (0.78) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL8871218 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL8871551 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| Ro-194603 SCHEMBL2464268 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL7385731 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL7385733 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL7390814 | 0.82 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 | |
| SCHEMBL7370573 | 0.82 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2575455-A2 | METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY | The Regents of the University of California (US) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011153377-A2 | METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-12-08 | — | — | WO | disclosed |
| EP-0672666-B1 | Imidazodiazepins | HOFFMANN LA ROCHE (CH) | 2001-07-25 | — | — | EP | disclosed |
| US-5665718-A | ANXIOLYTIC, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE, HYPNOTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0790999-A1 | OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996015129-A1 | OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-23 | — | — | WO | disclosed |
| EP-0672666-A2 | Imidazodiazepins | F. Hoffmann-La Roche AG (CH) | 1995-09-20 | — | — | EP | disclosed |
| EP-0150040-B1 | Imidazodiazepine derivatives | HOFFMANN LA ROCHE (CH) | 1994-08-31 | — | — | EP | disclosed |
| US-4775671-A | ANXIOLYTIC AGENTS, ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1988-10-04 | — | — | US | disclosed |
| EP-0150040-A2 | Imidazodiazepine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1985-07-31 | — | — | EP | disclosed |