Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7779475 | 0.93 | PTGS2 (0.49) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL8181641 | 0.92 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL8181613 | 0.92 | PTGS2 (0.51) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL7777659 | 0.90 | PTGS2 (0.47) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL7772894 | 0.87 | PTGS2 (0.52) | PTGS2PTGS1ABCB11ALDH1A1CDK2 | |
| SCHEMBL8181460 | 0.87 | PTGS2 (0.50) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL7777294 | 0.86 | PTGS2 (0.52) | PTGS2PTGS1ABCB11ALDH1A1CDK2 | |
| SCHEMBL7778215 | 0.85 | PTGS2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL8175570 | 0.85 | CA9 (0.52) | PTGS2ALDH1A1CA1CA2CA12 | |
| SCHEMBL7773219 | 0.85 | PTGS2 (0.51) | PTGS2PTGS1ABCB11ALDH1A1CDK2 |
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-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5482971-A | Beta3 -adrenergic agents and their use in pharmaceutical compositions | AMERICAN CYANAMID COMPANY (US) | 1996-01-09 | — | — | US | disclosed |