Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.64 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.62 |
| ▸ | PTGES | O14684 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8032856 | 0.88 | PTGS2 (0.72) | PTGS2PTGS1PDPK1PTGESHDAC3 | |
| SCHEMBL8023221 | 0.88 | PTGS2 (0.61) | PTGS2PTGS1PDPK1ALOX5 | |
| SCHEMBL8033507 | 0.84 | PTGS2 (0.68) | PTGS2PTGS1PDPK1 | |
| SCHEMBL6432877 | 0.84 | PTGS2 (0.72) | PTGS2PTGS1PDPK1PTGESHDAC3 | |
| SCHEMBL8037297 | 0.83 | PTGS2 (0.70) | PTGS2PTGS1 | |
| SCHEMBL6409589 | 0.83 | PTGS2 (0.75) | PTGS2PTGS1PDPK1 | |
| SCHEMBL8023242 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1PDPK1 | |
| SCHEMBL8023423 | 0.81 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL8032915 | 0.80 | PTGS2 (0.96) | PTGS2PTGS1PDPK1 | |
| SCHEMBL213784 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1PDPK1PTGESHDAC3 |
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-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | claimed |
| WO-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | disclosed |