Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA9 | Q16790 | 6/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA7 | P43166 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8421302 | 0.91 | PTGS2 (0.44) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8423418 | 0.88 | PTGS2 (0.44) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8423492 | 0.87 | PTGS2 (0.38) | PTGS2PTGS1CDK2 | |
| SCHEMBL8419783 | 0.86 | CA2 (0.47) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8419909 | 0.83 | PTGS2 (0.46) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8093708 | 0.83 | PTGS2 (0.59) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8421109 | 0.82 | PTGS2 (0.55) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8421300 | 0.80 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL8419437 | 0.80 | PTGS2 (0.53) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8419785 | 0.80 | PTGS2 (0.53) | PTGS2PTGS1CDK2 |
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-5916905-A | ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS | G. D. SEARLE & CO. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5686470-A | 2, 3-substituted pyridines for the treatment of inflammation | WEIER RICHARD M (US) | 1997-11-11 | — | — | US | disclosed |