Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.48 |
| ▸ | ITGAV | P06756 | 2/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.48 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004222 | 1.00 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL12087999 | 0.97 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL12088102 | 0.95 | SIRT2 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL15827333 | 0.89 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL2010522 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL15827332 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL2007693 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL8387978 | 0.84 | FOLH1 (0.65) | FOLH1SIRT2SIRT1CTSLCTSS | |
| SCHEMBL10421088 | 0.84 | FOLH1 (0.62) | FOLH1SIRT2SIRT1IDO1TDO2 | |
| SCHEMBL2640680 | 0.81 | ALDH1A1 (0.51) | IDO1MMP2MMP3MMP9MMP13 |
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-0699209-A1 | PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994026779-A1 | PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-11-24 | — | — | WO | disclosed |