Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 12/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1608964 | 0.80 | COMT (0.46) | COMTCDK2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL3365763 | 0.80 | COMT (0.65) | COMTCDK2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL1608806 | 0.71 | HPGD (0.58) | COMTALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1608929 | 0.70 | CDK2 (0.44) | COMTCDK2 | |
| SCHEMBL3364327 | 0.68 | COMT (0.47) | COMTCDK2 | |
| SCHEMBL3364756 | 0.67 | COMT (0.61) | COMTCDK2 | |
| SCHEMBL3363596 | 0.66 | COMT (0.60) | COMTCDK2 | |
| SCHEMBL3362922 | 0.65 | COMT (0.55) | COMTCDK2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1608186 | 0.64 | COMT (0.73) | COMTCDK2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL11295224 | 0.63 | GRIN2D (0.50) | COMTCDK2GRIN2DGRIN3BGRIN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910325-B1 | NEW PHARMACEUTICAL COMPOUNDS | ORION CORP (FI) | 2010-10-06 | — | — | EP | claimed |