Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14401040 | 0.74 | PTGS2 (0.59) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL8297317 | 0.73 | PTGS2 (0.41) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL8292733 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL7326690 | 0.69 | PTGS2 (0.64) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL14747609 | 0.68 | PTGS2 (0.74) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL5420747 | 0.68 | PTGS2 (0.74) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL14747587 | 0.68 | PTGS2 (0.66) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL3277875 | 0.68 | PTGS1 (0.80) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL14958860 | 0.67 | PDPK1 (0.73) | PTGS2PTGS1CYP3A4CYP2C9TSHR | |
| SCHEMBL2694817 | 0.67 | PTGS2 (0.82) | PTGS2PTGS1CYP3A4CYP2C9TSHR |
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-2004103286-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CHOLIMERGIC AGENT | PHARMACIA CORPORATION (US) | 2004-12-02 | — | — | WO | disclosed |