Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 19/20 | 0.64 |
| ▸ | F2 | P00734 | 1/20 | 0.54 |
| ▸ | F10 | P00742 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3830128 | 0.97 | KLKB1 (0.65) | KLKB1F2F10PRSS1PRSS2 | |
| Trifluoroacetic Acid SCHEMBL3830314 | 0.87 | F10 (0.57) | KLKB1F2F10PRSS1PRSS2 | |
| Trifluoroacetic Acid SCHEMBL3830432 | 0.83 | KLKB1 (0.51) | KLKB1F2F10PRSS1PRSS2 | |
| SCHEMBL3832841 | 0.83 | KLKB1 (0.55) | KLKB1F2F10PRSS1PRSS2 | |
| SCHEMBL3830373 | 0.78 | F10 (0.54) | KLKB1F2F10PRSS1PRSS2 | |
| SCHEMBL18604685 | 0.77 | KLKB1 (0.87) | KLKB1 | |
| SCHEMBL17064482 | 0.77 | KLKB1 (0.87) | KLKB1 | |
| SCHEMBL31067520 | 0.77 | KLKB1 (0.87) | KLKB1 | |
| SCHEMBL30415357 | 0.77 | KLKB1 (0.87) | KLKB1 | |
| Trifluoroacetic Acid SCHEMBL3829648 | 0.76 | KLKB1 (0.62) | KLKB1F2F10PRSS1PRSS2 |
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 |