Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195825 | 0.89 | PTGS2 (0.38) | PTGS2PTGS1ALDH1A1HTT | |
| SCHEMBL8194817 | 0.87 | PTGS2 (0.40) | PTGS2PTGS1CHUKALDH1A1CA2 | |
| SCHEMBL8228161 | 0.84 | PPARD (0.35) | PTGS2PTGS1CHUKNOTUMALDH1A1 | |
| SCHEMBL8195777 | 0.84 | PTGS2 (0.37) | PTGS2PTGS1ALDH1A1KDM4EHTT | |
| SCHEMBL8187466 | 0.82 | PTGS2 (0.39) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL8196086 | 0.81 | ALDH1A1 (0.39) | NEK1ALDH1A1HPGDHTTCA2 | |
| SCHEMBL8200030 | 0.81 | POLB (0.40) | PTGS2PTGS1ALDH1A1KDM4EHPGD | |
| SCHEMBL8196136 | 0.80 | PTGS2 (0.38) | PTGS2PTGS1 | |
| SCHEMBL8194813 | 0.78 | PTGS2 (0.37) | PTGS2ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL8196005 | 0.78 | MEN1 (0.39) | PTGS2PTGS1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |