Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 6/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8163016 | 0.87 | PTGS2 (0.41) | PTGS2PDPK1PTGS1CYP2C9PTGES | |
| Benzenesulfonamide SCHEMBL7051156 | 0.81 | PTGS2 (0.60) | PTGS2PDPK1PTGS1 | |
| SCHEMBL29502699 | 0.81 | PTGS2 (0.66) | PTGS2PDPK1PTGS1CYP2C9PTGES | |
| SCHEMBL6912425 | 0.81 | PTGS2 (0.66) | PTGS2PDPK1PTGS1CYP2C9PTGES | |
| SCHEMBL8639798 | 0.81 | PTGS2 (0.66) | PTGS2PDPK1PTGS1CYP2C9RXRA | |
| SCHEMBL8204244 | 0.80 | PTGS1 (0.51) | PTGS2PTGS1LMNA | |
| SCHEMBL7924378 | 0.78 | PTGS2 (0.53) | PTGS2PDPK1PTGS1RXRANR1H2 | |
| Benzenesulfonamide SCHEMBL7773919 | 0.76 | PTGS2 (0.68) | PTGS2PDPK1PTGS1 | |
| SCHEMBL8637676 | 0.76 | PTGS2 (0.56) | PTGS2PDPK1PTGS1CYP2C9PTGES | |
| SCHEMBL8639018 | 0.75 | PTGS2 (0.55) | PTGS2PDPK1PTGS1RXRANR1H2 |
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-1998016227-A9 | METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA | — | 1998-07-30 | — | — | WO | disclosed |