Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 15/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 18/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7876039 | 0.87 | OPRL1 (0.31) | OPRL1OPRM1 | |
| SCHEMBL3246131 | 0.77 | F2 (0.43) | OPRL1OPRM1 | |
| SCHEMBL7874308 | 0.76 | AURKA (0.31) | — | |
| SCHEMBL7878630 | 0.75 | KDM4E (0.40) | — | |
| SCHEMBL7867229 | 0.74 | F2 (0.44) | — | |
| SCHEMBL7876212 | 0.74 | F2 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL3238781 | 0.74 | F2 (0.44) | OPRL1OPRM1 | |
| SCHEMBL7874286 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL7878615 | 0.73 | F2 (0.39) | NPC1 | |
| SCHEMBL6426421 | 0.73 | GBA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | claimed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | claimed |
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | disclosed |