Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | ITGB3 | P05106 | 17/20 | 0.56 |
| ▸ | ITGA2B | P08514 | 17/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14599582 | 0.87 | MAPK1 (0.61) | MAPK1ITGB3ITGA2B | |
| SCHEMBL14599618 | 0.87 | MAPK1 (0.61) | MAPK1ITGB3ITGA2B | |
| SCHEMBL14599581 | 0.87 | MAPK1 (0.61) | MAPK1ITGB3ITGA2B | |
| SCHEMBL14599527 | 0.87 | MAPK1 (0.61) | MAPK1ITGB3ITGA2B | |
| SCHEMBL5540645 | 0.85 | MAPK1 (0.58) | MAPK1ITGB3ITGA2B | |
| SCHEMBL7304969 | 0.85 | ITGB3 (0.72) | MAPK1ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL8408094 | 0.83 | MAPK1 (0.68) | MAPK1ITGB3ITGA2BCYP1A2CYP2C9 | |
| SCHEMBL7306809 | 0.83 | ITGB3 (0.70) | MAPK1ITGB3ITGA2B | |
| SCHEMBL8409855 | 0.83 | MAPK1 (0.62) | MAPK1ITGB3ITGA2B | |
| SCHEMBL8407980 | 0.82 | F10 (0.60) | MAPK1ITGB3ITGA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445796-B1 | Derivatives of acetic acid containing peptide bonds | HOFFMANN LA ROCHE (CH) | 1998-06-17 | — | — | EP | claimed |
| US-5430024-A | Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation | HOFFMANN-LA ROCHE INC. (US) | 1995-07-04 | — | — | US | disclosed |
| US-5273982-A | An amidinoaryleneamidoalkylpiperazinyleneacetic acid | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |