Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ELANE | P08246 | 8/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | CTRC | Q99895 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8296423 | 0.91 | ELANE (0.51) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL7310818 | 0.84 | NPC1 (0.48) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL7309689 | 0.84 | PPID (0.41) | NPC1RAB9AELANE | |
| SCHEMBL8642645 | 0.83 | NPC1 (0.60) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL7027446 | 0.82 | ELANE (0.55) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL2798490 | 0.80 | ELANE (0.64) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL4424252 | 0.79 | ELANE (0.61) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL950663 | 0.78 | ELANE (0.55) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL27501507 | 0.78 | ELANE (0.62) | NPC1RAB9AELANECASP1F2 | |
| SCHEMBL6852036 | 0.77 | ELANE (0.54) | NPC1RAB9AELANECASP1F2 |
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 5 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-5792779-A | CARDIOVASCULAR DISORDERS; ANGINA | MERCK & CO., INC. (US) | 1998-08-11 | — | — | 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 |