Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29842691 | 0.80 | PTGS2 (0.67) | PTGS1PTGS2 | |
| SCHEMBL6256555 | 0.80 | PTGS2 (0.67) | PTGS1PTGS2 | |
| SCHEMBL28381017 | 0.80 | PTGS2 (0.44) | CYP3A4CYP19A1NPY5RCYP2A6NQO2 | |
| SCHEMBL28382612 | 0.80 | PTGS2 (0.44) | CYP3A4CYP19A1NPY5RCYP2A6NQO2 | |
| SCHEMBL29080600 | 0.80 | PTGS2 (0.44) | CYP3A4CYP19A1NPY5RCYP2A6NQO2 | |
| SCHEMBL7281940 | 0.75 | CYP2A6 (0.47) | CYP11B1CYP11B2CYP3A4CYP17A1NPY5R | |
| SCHEMBL28592190 | 0.71 | CYP2A6 (0.68) | CYP11B1CYP11B2CYP3A4CYP17A1CYP19A1 | |
| SCHEMBL29352023 | 0.71 | CYP2A6 (0.68) | CYP11B1CYP11B2CYP3A4CYP17A1CYP19A1 | |
| SCHEMBL4308212 | 0.71 | CYP2A6 (0.68) | CYP11B1CYP11B2CYP3A4CYP17A1CYP19A1 | |
| SCHEMBL7278707 | 0.70 | CYP11B2 (0.50) | CYP11B1CYP11B2CYP3A4CYP17A1CYP19A1 |
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-2005037227-A2 | SELECTIVE COX-2 INHIBITORS | MICROBIA, INC. (US) | 2005-04-28 | — | — | WO | disclosed |