Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363403 | 0.81 | CASP3 (0.44) | CASP3SENP8SENP7SENP6 | |
| SCHEMBL6089703 | 0.75 | CYP3A4 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL6457239 | 0.72 | CYP3A4 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CASP3 | |
| SCHEMBL6737403 | 0.71 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL28190550 | 0.69 | CYP3A4 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL1161287 | 0.68 | CASP3 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19CASP3 | |
| SCHEMBL1375312 | 0.68 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL6742592 | 0.68 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL29355884 | 0.67 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19MAP2K1 | |
| Hydrochloric Acid SCHEMBL27559372 | 0.66 | NLRP3 (0.47) | CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0892780-B1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-11-20 | — | — | EP | disclosed |
| US-5942544-A | α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-08-24 | — | — | US | disclosed |
| EP-0892780-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997030971-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-28 | — | — | WO | disclosed |