Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 15/20 | 0.63 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586982 | 0.81 | CA2 (0.54) | PTGS2PTGS1 | |
| SCHEMBL4587142 | 0.80 | PTGS2 (0.60) | PTGS2PTGS1 | |
| SCHEMBL4888565 | 0.80 | PTGS2 (0.67) | PTGS2PTGS1CDK2 | |
| SCHEMBL6170119 | 0.79 | PTGS2 (0.53) | PTGS2PTGS1CDK2ABCB11ALDH1A1 | |
| SCHEMBL21561303 | 0.79 | PTGS2 (0.78) | PTGS2PTGS1CDK2ABCB11ALDH1A1 | |
| SCHEMBL4586952 | 0.78 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL6732632 | 0.78 | PTGS2 (0.73) | PTGS2PTGS1CDK2 | |
| SCHEMBL7841871 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1CDK2 | |
| SCHEMBL6169938 | 0.77 | PTGS2 (0.58) | PTGS2PTGS1CDK2ABCB11ALDH1A1 | |
| SCHEMBL4587680 | 0.76 | PTGS2 (0.59) | PTGS2PTGS1 |
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-5985902-A | TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS | G.D. SEARLE & CO. (US) | 1999-11-16 | — | — | US | disclosed |
| US-5633272-A | Substituted isoxazoles for the treatment of inflammation | PHARMACIA & UPJOHN COMPANY LLC | 1997-05-27 | — | — | US | disclosed |