Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 8/20 | 0.37 |
| ▸ | CTSS | P25774 | 6/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.34 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3307159 | 0.90 | CYP1A2 (0.40) | ITGB3ITGA2BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3307162 | 0.90 | CYP1A2 (0.40) | ITGB3ITGA2BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3307583 | 0.88 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL13396343 | 0.85 | CTSL (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL4433842 | 0.84 | ITGB3 (0.40) | ITGB3ITGA2BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3308251 | 0.83 | CYP1A2 (0.41) | ITGB3ITGA2BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3308250 | 0.83 | CYP1A2 (0.41) | ITGB3ITGA2BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3303330 | 0.82 | CTSS (0.53) | ITGB3ITGA2BCTSKCTSSCTSL | |
| SCHEMBL3303326 | 0.82 | CTSS (0.53) | ITGB3ITGA2BCTSKCTSSCTSL | |
| SCHEMBL18954415 | 0.82 | CTSK (0.50) | ITGB3ITGA2BCYP1A2CYP2C9CYP2C19 |
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-2125695-A2 | NITRIC OXIDE DONOR COMPOUNDS | Nicox S.A. (FR) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008095841-A2 | NITRIC OXIDE DONOR COMPOUNDS | NICOX S.A. (FR) | 2008-08-14 | — | — | WO | disclosed |