Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5795381 | 1.00 | AKR1C3 (0.39) | AKR1C3PTGS2PTGS1CHRM5CHRM1 | |
| Bromide SCHEMBL5798275 | 0.99 | AKR1C3 (0.38) | AKR1C3PTGS2PTGS1CHRM5CHRM1 | |
| Bromide SCHEMBL5798272 | 0.99 | AKR1C3 (0.38) | AKR1C3PTGS2PTGS1CHRM5CHRM1 | |
| SCHEMBL5794805 | 0.89 | PTGS2 (0.40) | PTGS2CHRM5CHRM1CHRM3ESR2 | |
| SCHEMBL5794812 | 0.89 | PTGS2 (0.40) | PTGS2CHRM5CHRM1CHRM3ESR2 | |
| Bromide SCHEMBL5796086 | 0.88 | PTGS2 (0.39) | PTGS2CHRM5CHRM1CHRM3ESR2 | |
| Bromide SCHEMBL5796091 | 0.88 | PTGS2 (0.39) | PTGS2CHRM5CHRM1CHRM3ESR2 | |
| SCHEMBL5798190 | 0.85 | AKR1C3 (0.48) | AKR1C3PTGS2PTGS1CA12CA1 | |
| SCHEMBL5798187 | 0.85 | AKR1C3 (0.48) | AKR1C3PTGS2PTGS1CA12CA1 | |
| SCHEMBL3480502 | 0.77 | PTGS2 (0.42) | AKR1C3PTGS2ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006044230-A1 | WATER SOLUBLE PRODRUGS OF COX-2 INHIBITORS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | claimed |