Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6609814 | 0.91 | NAMPT (0.52) | NAMPTHDAC1CYP17A1MAPKAPK2GSK3B | |
| Acetic Acid SCHEMBL28111547 | 0.87 | NAMPT (0.49) | NAMPTHDAC1CYP17A1MAPKAPK2GSK3B | |
| SCHEMBL24364346 | 0.84 | PTPN11 (0.51) | NAMPTHDAC1CYP17A1MAPKAPK2GSK3B | |
| SCHEMBL3328875 | 0.83 | NAMPT (0.48) | NAMPTHDAC1CYP17A1MAPKAPK2GSK3B | |
| SCHEMBL851343 | 0.81 | DEGS1 (0.56) | NAMPTGSK3BDYRK1AGRIN2B | |
| SCHEMBL1126145 | 0.81 | RAB9A (0.62) | GSK3BDYRK1ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL7081208 | 0.80 | NAMPT (0.46) | NAMPTHDAC1CYP17A1MAPKAPK2SMN1; SMN2 | |
| SCHEMBL12461458 | 0.80 | GSK3B (0.44) | NAMPTHDAC1CYP17A1MAPKAPK2GSK3B | |
| SCHEMBL56219 | 0.80 | PTGS1 (0.50) | NAMPTHDAC1MAPKAPK2GSK3BDYRK1A | |
| SCHEMBL4398253 | 0.80 | GSK3B (0.44) | NAMPTHDAC1CYP17A1MAPKAPK2GSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |