Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 17/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 12/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.49 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7309269 | 0.90 | F2 (0.59) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL8364629 | 0.79 | F2 (0.56) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6848994 | 0.76 | F2 (0.55) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7737354 | 0.75 | F2 (0.54) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7316701 | 0.74 | F2 (0.51) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7451199 | 0.74 | ACLY (0.43) | F2PRSS1ALDH1A1 | |
| SCHEMBL8497935 | 0.74 | F2 (0.35) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL7311770 | 0.73 | F2 (0.34) | F2PRSS1PRSS2PRSS3ALDH1A1 | |
| SCHEMBL7316652 | 0.73 | F2 (0.51) | F2PRSS1PRSS2PRSS3 | |
| SCHEMBL6849007 | 0.73 | F2 (0.52) | F2PRSS1PRSS2PRSS3 |
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-5932606-A | Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors | MERCK & CO., INC. (US) | 1999-08-03 | — | — | US | disclosed |
| US-5744486-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1998-04-28 | — | — | US | disclosed |
| US-5668289-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1997-09-16 | — | — | US | disclosed |
| WO-1997001338-A1 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-01-16 | — | — | WO | disclosed |