Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.36 |
| ▸ | USP2 | O75604 | 6/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | CNR1 | P21554 | 4/20 | 0.34 |
| ▸ | CNR2 | P34972 | 4/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | CASP1 | P29466 | 3/20 | 0.33 |
| ▸ | CASP7 | P55210 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628819 | 0.85 | CNR1 (0.43) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL13628825 | 0.82 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL13628822 | 0.81 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL13628861 | 0.80 | RAB9A (0.38) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL13628831 | 0.80 | MCL1 (0.39) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL13628864 | 0.79 | CYP1A2 (0.39) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL2924583 | 0.78 | PTGS2 (0.41) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL13628855 | 0.77 | CYP1A2 (0.33) | CYP1A2CYP3A4TSHRCYP2C9USP2 | |
| SCHEMBL13628856 | 0.74 | CNR2 (0.40) | CNR1CNR2TP53LMNA | |
| SCHEMBL13628857 | 0.72 | CCR2 (0.40) | CYP1A2CYP3A4TSHRCYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |