Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 8/20 | 0.42 |
| ▸ | HTR3A | P46098 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL2065346 | 0.91 | HTR4 (0.47) | HTR4HTR3ACYP2D6CYP2C9HTR3E | |
| SCHEMBL2064471 | 0.89 | HTR3A (0.47) | HTR4HTR3ACYP2D6CYP2C9HTR3E | |
| SCHEMBL3425658 | 0.89 | KCNMA1 (0.40) | CYP2D6MEN1KMT2ACYP1A2 | |
| SCHEMBL3399684 | 0.89 | CRBN (0.42) | CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL2065610 | 0.89 | HTR4 (0.47) | HTR4HTR3ACYP2D6CYP2C9HTR3E | |
| SCHEMBL927355 | 0.89 | GSK3B (0.39) | CYP2D6CYP1A2 | |
| SCHEMBL3662133 | 0.87 | HTR4 (0.46) | HTR4HTR3ACYP2D6CYP2C9HTR3E | |
| SCHEMBL3400870 | 0.86 | GSK3B (0.42) | CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3402193 | 0.86 | GSK3B (0.42) | CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3402173 | 0.86 | GSK3B (0.45) | CYP2D6CYP1A2 |
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 4 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 | claimed |
| WO-2009095788-A1 | SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | claimed |
| 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 |