Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CYP2A13 | Q16696 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6071827 | 0.84 | CYP2A13 (0.54) | CNR1CYP3A4CYP2C19CYP2A13L3MBTL1 | |
| SCHEMBL7408919 | 0.77 | SIGMAR1 (0.53) | CNR1CYP2C19SIGMAR1LMNAPOLB | |
| SCHEMBL6502154 | 0.74 | ALDH1A1 (0.51) | CNR1CYP2A13L3MBTL1SIGMAR1LMNA | |
| SCHEMBL4105446 | 0.72 | KCNH2 (0.74) | CNR1CYP2A13SIGMAR1LMNAPOLB | |
| SCHEMBL17035236 | 0.72 | CNR1 (1.00) | CNR1 | |
| SCHEMBL4109579 | 0.70 | CYP2A13 (0.66) | CNR1CYP2A13SIGMAR1LMNAPOLB | |
| SCHEMBL28862766 | 0.69 | POLB (0.47) | CNR1CYP2A13SIGMAR1POLB | |
| SCHEMBL3311657 | 0.68 | CYP2A13 (1.00) | CYP2A13SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL6071544 | 0.68 | TSHR (0.46) | CYP2C19L3MBTL1NFE2L2KEAP1POLB | |
| SCHEMBL4425955 | 0.68 | POLB (0.58) | CYP3A4CYP2C19SIGMAR1POLBALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0558104-B1 | 1,5-Benzodiazepine derivatives and their use in medicine | GLAXO WELLCOME SPA (IT) | 1998-07-29 | — | — | EP | disclosed |
| EP-0558104-A1 | 1,5-Benzodiazepine derivatives and their use in medicine | GLAXO S.p.A. (IT) | 1993-09-01 | — | — | EP | disclosed |