Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GYS1 | P13807 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.51 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7778131 | 0.91 | PTGS2 (0.50) | GYS1PTGS2PTGS1LRRK2 | |
| SCHEMBL7773204 | 0.90 | PTGS2 (0.49) | GYS1PTGS2PTGS1LRRK2 | |
| SCHEMBL7779584 | 0.88 | PTGS2 (0.58) | GYS1PTGS2PTGS1LRRK2 | |
| SCHEMBL7779772 | 0.88 | LRRK2 (0.50) | PTGS2PTGS1LRRK2 | |
| SCHEMBL6252659 | 0.88 | PTGS2 (0.58) | GYS1PTGS2PTGS1LRRK2 | |
| SCHEMBL7780676 | 0.87 | LRRK2 (0.64) | PTGS2PTGS1LRRK2 | |
| SCHEMBL7780647 | 0.87 | LRRK2 (0.49) | GYS1PTGS2PTGS1LRRK2 | |
| SCHEMBL7779654 | 0.87 | LRRK2 (0.60) | GYS1PTGS2PTGS1LRRK2 | |
| SCHEMBL7779939 | 0.87 | LRRK2 (0.52) | GYS1PTGS2LRRK2 | |
| SCHEMBL7777771 | 0.87 | LRRK2 (0.53) | GYS1PTGS2PTGS1LRRK2 |
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-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |