Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 5/20 | 0.36 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1418950 | 0.78 | ATM (0.57) | DRD2DRD3NSD2ALOX5 | |
| SCHEMBL18917810 | 0.71 | ALDH1A1 (0.42) | DRD2DRD3NSD2NOTUMALOX5 | |
| SCHEMBL8704159 | 0.66 | ALDH1A1 (0.69) | P4HBMAOAMAOBGSK3B | |
| SCHEMBL18917956 | 0.66 | PLA2G4A (0.46) | DRD2DRD3NSD2 | |
| SCHEMBL3921645 | 0.66 | GRM5 (0.58) | DRD2DRD3NOTUMGRM5 | |
| SCHEMBL31398745 | 0.66 | GRM5 (0.54) | DRD2DRD3NSD2NOTUMGRM5 | |
| SCHEMBL4225188 | 0.66 | ENPP3 (0.41) | DRD2DRD3NSD2GRM5 | |
| SCHEMBL99039 | 0.64 | — | — | |
| SCHEMBL29358412 | 0.64 | — | — | |
| Water SCHEMBL27994505 | 0.64 | ENPP2 (0.48) | DRD2DRD3GRM5P4HBMAOA |
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-6548512-B1 | Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-04-15 | — | — | US | disclosed |
| US-6020357-A | CARDIOVASCULAR DISORDERS; ANTCOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-01 | — | — | US | disclosed |
| EP-0946508-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028269-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |