Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.80 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.78 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.65 |
| ▸ | PTGES | O14684 | 1/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.63 |
| ▸ | CA12 | O43570 | 1/20 | 0.63 |
| ▸ | PDE5A | O76074 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | CA3 | P07451 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL8120747 | 0.94 | PTGS2 (0.74) | PTGS2CYP2C9PDPK1CHRNA7PTGS1 | |
| SCHEMBL8121607 | 0.94 | PTGS2 (0.74) | PTGS2CYP2C9PDPK1CHRNA7PTGS1 | |
| SCHEMBL3096416 | 0.89 | PTGS2 (1.00) | PTGS2CYP2C9PDPK1PTGS1PTGES | |
| SCHEMBL8421124 | 0.88 | PTGS2 (0.89) | PTGS2CYP2C9PDPK1PTGS1 | |
| SCHEMBL5858004 | 0.88 | PDPK1 (1.00) | PTGS2CYP2C9PDPK1PTGS1PTGES | |
| SCHEMBL8119339 | 0.86 | PTGS2 (0.88) | PTGS2CYP2C9CHRNA7PTGS1CA1 | |
| SCHEMBL3246618 | 0.84 | PTGS2 (0.75) | PTGS2CYP2C9PDPK1CHRNA7PTGS1 | |
| SCHEMBL8125344 | 0.84 | CYP2C9 (0.71) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL8112184 | 0.84 | PTGS2 (0.66) | PTGS2CYP2C9PDPK1PTGS1 | |
| SCHEMBL8120054 | 0.84 | PTGS2 (0.68) | PTGS2CYP2C9PDPK1PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0731796-B1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-08-02 | — | — | EP | disclosed |
| US-5434178-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G.D. SEARLE & CO. (US) | 1995-07-18 | — | — | US | disclosed |