Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 14/20 | 0.59 |
| ▸ | TAS1R1 | Q7RTX1 | 14/20 | 0.59 |
| ▸ | F10 | P00742 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS1 | P29475 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27726851 | 0.88 | TAS1R3 (0.47) | TAS1R3TAS1R1F10ALDH1A1HPGD | |
| SCHEMBL4479043 | 0.86 | ALDH1A1 (0.59) | F10ALDH1A1 | |
| SCHEMBL4031357 | 0.86 | ALDH1A1 (0.59) | F10ALDH1A1 | |
| SCHEMBL3426918 | 0.81 | F2 (0.53) | F10ALDH1A1HPGDCASP1 | |
| SCHEMBL2569425 | 0.81 | F10 (0.50) | TAS1R3TAS1R1F10ALDH1A1HPGD | |
| SCHEMBL21612133 | 0.80 | TAS1R3 (0.61) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL21612134 | 0.80 | TAS1R3 (0.61) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL13754450 | 0.79 | SMN1; SMN2 (0.59) | ALDH1A1HPGDCASP1 | |
| SCHEMBL1770888 | 0.75 | MAPK1 (0.52) | F10ALDH1A1HPGDCASP1 | |
| SCHEMBL1770887 | 0.75 | MAPK1 (0.52) | F10ALDH1A1HPGDCASP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7579346-B2 | (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors | MERCK PATENT GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| US-7579346-B2 | (R)-2-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]4-methylvaleramide, for example; inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors | MERCK PATENT GMBH (DE) | 2009-08-25 | — | — | US | disclosed |
| EP-1562939-B1 | CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2009-01-21 | — | — | EP | disclosed |
| EP-1562939-A1 | CARBOXAMIDES | MERCK PATENT GmbH (DE) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004046138-A1 | CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2004-06-03 | — | — | WO | disclosed |
| WO-2004046138-A1 | CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2004-06-03 | — | — | WO | disclosed |