Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | DHPS | P49366 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PTAFR | P25105 | 1/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CLK3 | P49761 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6637618 | 0.97 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7DHPSROCK2 | |
| SCHEMBL7391205 | 0.96 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA7DHPSROCK2 | |
| SCHEMBL7395139 | 0.88 | MKNK1 (0.43) | CHRNB2CHRNA4DHPSALDH1A1CYP1A2 | |
| SCHEMBL6637613 | 0.83 | CHRNB2 (0.39) | CHRNB2CHRNA4ROCK2ROCK1CDC42BPB | |
| SCHEMBL7390870 | 0.83 | HTR7 (0.42) | HRH3ALDH1A1 | |
| SCHEMBL6641151 | 0.80 | OPRK1 (0.44) | HRH3ALDH1A1 | |
| SCHEMBL7392244 | 0.79 | CYP2D6 (0.44) | HRH3ALDH1A1 | |
| SCHEMBL7392131 | 0.77 | CYP11B1 (0.51) | CYP1A2CYP3A4 | |
| SCHEMBL7393797 | 0.77 | CYP2C19 (0.38) | CHRNB2CHRNA4HRH3ALDH1A1CYP1A2 | |
| SCHEMBL8195408 | 0.74 | CYP2A6 (0.41) | CYP2A6ALDH1A1CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1259942-A | Novel guanidine mimics as factor Xa inhibitors | DU PONT MERCK PHARMA (US) | 2000-07-12 | — | — | CN | disclosed |
| US-6060491-A | ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; PROPHYLAXIS | DUPONT PHARMACEUTICALS (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| US-5998424-A | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |