Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6047593 | 0.80 | ALKBH3 (0.36) | AHRPDGFRBPDGFRAMAPK10CYP1B1 | |
| SCHEMBL5887273 | 0.80 | AHR (0.34) | AHRPDGFRBPDGFRAMAPK10CYP1B1 | |
| SCHEMBL5887524 | 0.77 | RAD51 (0.37) | AHRADORA2AADORA1 | |
| SCHEMBL18229239 | 0.77 | PDE4B (0.37) | — | |
| SCHEMBL5887082 | 0.70 | CLK4 (0.35) | — | |
| SCHEMBL5887298 | 0.70 | RAD51 (0.40) | AHRADORA2AADORA1 | |
| SCHEMBL5887386 | 0.69 | RAD51 (0.36) | AKR1C2 | |
| SCHEMBL4802145 | 0.69 | AHR (0.41) | AHRPDGFRBPDGFRAMAPK10CYP1B1 | |
| SCHEMBL5887155 | 0.69 | NOTUM (0.36) | MAPK10SLC6A3SLC6A2MAPK9MAPK14 | |
| SCHEMBL5887645 | 0.69 | RAD51 (0.37) | AHRADORA1 |
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-1347967-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002051838-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2002-07-04 | — | — | WO | disclosed |