Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28063618 | 0.87 | — | — | |
| SCHEMBL23869469 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL21540021 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL10469501 | 0.80 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL20072726 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL11603444 | 0.79 | SLC6A3 (0.35) | CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3308637 | 0.78 | SLC6A3 (0.37) | CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL17706430 | 0.78 | OPRL1 (0.41) | CYP3A4CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL19272636 | 0.78 | SLC6A3 (0.37) | CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27615511 | 0.78 | SLC6A3 (0.37) | CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5786373-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-07-28 | — | — | US | disclosed |
| EP-0667773-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1996-09-25 | — | — | EP | disclosed |
| EP-0667773-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994008577-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-04-28 | — | — | WO | disclosed |