Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | VNN1 | O95497 | 3/20 | 0.47 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17142140 | 0.87 | HDAC2 (0.64) | CHRM3HDAC6HDAC2HDAC8GAA | |
| SCHEMBL15606157 | 0.86 | EPHX2 (0.56) | HDAC6HDAC2HDAC8EPHX2MAOA | |
| SCHEMBL5091359 | 0.86 | CHRM3 (0.54) | CHRM3HDAC6HDAC2HDAC8GSK3B | |
| SCHEMBL7985996 | 0.85 | GAA (0.56) | CHRM3GAAVNN1SMPD1 | |
| SCHEMBL7989764 | 0.85 | GAA (0.53) | CHRM3HDAC6HDAC2HDAC8GSK3B | |
| SCHEMBL28146231 | 0.85 | CHRM3 (0.55) | CHRM3HDAC6HDAC2HDAC8GSK3B | |
| SCHEMBL7986109 | 0.84 | MAOB (0.55) | CHRM3GAAVNN1SMPD1LMNA | |
| SCHEMBL17339504 | 0.84 | TRPV1 (0.55) | CHRM3HDAC6HDAC2HDAC8GSK3B | |
| SCHEMBL29617710 | 0.84 | TRPV1 (0.55) | CHRM3HDAC6HDAC2HDAC8GSK3B | |
| SCHEMBL7972494 | 0.84 | MAOB (0.55) | CHRM3GAAVNN1NAMPTSMPD1 |
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 |