Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7826505 | 0.90 | PTGES (0.47) | PTGESCYP2C9DAOALDH1A1MAOA | |
| SCHEMBL7826259 | 0.86 | PTGES (0.51) | PTGESCYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL7815632 | 0.85 | PARP1 (0.50) | PTGESCYP2C9KDM4ENPC1RAB9A | |
| SCHEMBL7822908 | 0.83 | KDM4E (0.38) | PTGESCYP2C9KDM4ENPC1ALDH1A1 | |
| SCHEMBL7827947 | 0.82 | PTGES (0.43) | PTGESKIF11DAOKDM4ENPC1 | |
| SCHEMBL7830520 | 0.82 | HSP90AA1 (0.39) | PTGESCYP2C9KDM4EALDH1A1MEN1 | |
| SCHEMBL7815301 | 0.82 | KDM4E (0.42) | KDM4ENPC1ALDH1A1RAB9AMAOA | |
| SCHEMBL7827211 | 0.81 | HSD17B10 (0.51) | KDM4ENPC1ALDH1A1CDK2CCNE2 | |
| SCHEMBL7824009 | 0.81 | PARP1 (0.46) | PTGESCYP2C9KDM4EALDH1A1 | |
| SCHEMBL7830466 | 0.81 | PARP1 (0.39) | KDM4EALDH1A1CDK2 |
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-0686636-B1 | TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | MEIJI SEIKA CO (JP) | 2001-04-04 | — | — | EP | disclosed |
| EP-0686636-A1 | TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1995-12-13 | — | — | EP | disclosed |