Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2066169 | 0.89 | POLB (0.49) | POLBCA2CYP1A2CYP2D6CA1 | |
| SCHEMBL3400870 | 0.89 | GSK3B (0.42) | CYP1A2CYP2D6GSK3B | |
| SCHEMBL3402010 | 0.88 | GSK3B (0.39) | CYP1A2CYP2D6CYP2C19KMT2AMEN1 | |
| SCHEMBL3425658 | 0.88 | KCNMA1 (0.40) | POLBCYP1A2CYP2D6MAPTKMT2A | |
| SCHEMBL3402173 | 0.87 | GSK3B (0.45) | CYP1A2CYP2D6GSK3B | |
| SCHEMBL3399684 | 0.85 | CRBN (0.42) | CYP1A2CYP2D6GSK3B | |
| SCHEMBL3400823 | 0.85 | HTR4 (0.42) | CYP1A2CYP2D6DRD2DRD4DRD3 | |
| SCHEMBL3402193 | 0.84 | GSK3B (0.42) | CYP1A2CYP2D6LMNAGSK3B | |
| SCHEMBL3399573 | 0.84 | GSK3B (0.44) | CYP1A2CYP2D6MAPTGSK3B | |
| SCHEMBL3399343 | 0.84 | GSK3B (0.47) | CYP1A2CYP2D6GSK3B |
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-2247599-A1 | SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009095788-A1 | SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |