Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.52 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10771603 | 0.77 | PTGDR2 (0.44) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL31272227 | 0.75 | HDAC1 (0.57) | HDAC1HDAC6P2RX7 | |
| SCHEMBL7490899 | 0.73 | HDAC1 (0.45) | HDAC1HDAC6PTGS2PTGDR2P2RX7 | |
| SCHEMBL6601374 | 0.69 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL6601664 | 0.69 | PTGS2 (0.75) | PTGS2PTGS1 | |
| SCHEMBL29114966 | 0.68 | PTGS2 (0.60) | HDAC6PTGS2PTGS1 | |
| SCHEMBL12597163 | 0.68 | NPC1 (0.56) | HDAC1HDAC6P2RX7 | |
| SCHEMBL3429586 | 0.68 | PTGER4 (0.55) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL9328526 | 0.67 | HDAC1 (0.55) | HDAC1HDAC6PTGS2PTGDR2 | |
| SCHEMBL10304515 | 0.67 | HDAC1 (0.48) | HDAC1HDAC6P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458706-B1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP (KR) | 2007-07-11 | — | — | EP | disclosed |