Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.59 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974824 | 0.85 | CA2 (0.60) | PTGS2PTGS1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL8974128 | 0.85 | PTGS2 (0.56) | PTGS2PTGS1RORC | |
| SCHEMBL9115937 | 0.83 | PTGS2 (0.72) | PTGS2PTGS1RORC | |
| SCHEMBL8974500 | 0.83 | PTGS2 (0.52) | PTGS2PTGS1RORC | |
| SCHEMBL851339 | 0.83 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL8974351 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1RORC | |
| SCHEMBL8974078 | 0.81 | PTGS2 (0.49) | PTGS2PTGS1ALDH1A1CYP3A4 | |
| SCHEMBL5052857 | 0.81 | PTGS2 (0.74) | PTGS2PTGS1RORCALDH1A1CYP3A4 | |
| SCHEMBL8975150 | 0.81 | PTGS2 (0.51) | PTGS2PTGS1RORC | |
| SCHEMBL8974391 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1RORC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5576339-A | Pyridyl substituted cyclopentadienes for the treatment of inflamation | HUANG HORNG-CHIH (US) | 1996-11-19 | — | — | US | disclosed |
| US-5418254-A | Side effect reduction | G. D. SEARLE & CO. (US) | 1995-05-23 | — | — | US | disclosed |