Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9706789 | 0.73 | KCNH2 (0.45) | — | |
| SCHEMBL7349547 | 0.69 | MAPT (0.49) | — | |
| SCHEMBL10691664 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL29628639 | 0.68 | CYP2D6 (0.67) | PTGS2PTGS1CYP2D6 | |
| SCHEMBL2474488 | 0.68 | METAP1 (0.42) | — | |
| SCHEMBL10926837 | 0.68 | ESR2 (0.42) | — | |
| Benzene SCHEMBL27714049 | 0.67 | MAOA (0.46) | — | |
| Carbamic Acid SCHEMBL15477883 | 0.67 | MAOA (0.39) | — | |
| SCHEMBL28006502 | 0.66 | CYP2D6 (0.47) | PTGS2CYP2D6 | |
| SCHEMBL7402868 | 0.66 | AKR1C3 (0.46) | PTGS1CYP2D6 |
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-1992011256-A1 | PROCESS FOR THE PREPARATION OF BENZOXAZINYLTETRAHYDROPYRIDAZINES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-07-09 | — | — | WO | disclosed |