Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.33 |
| ▸ | TSHR | P16473 | 8/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 7/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.32 |
| ▸ | CASP1 | P29466 | 3/20 | 0.32 |
| ▸ | CASP7 | P55210 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL13628825 | 0.82 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL13628831 | 0.81 | MCL1 (0.39) | CYP1A2CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL2924211 | 0.80 | PTGS2 (0.41) | CNR2 | |
| SCHEMBL13628819 | 0.79 | CNR1 (0.43) | CYP1A2CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL13628864 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL13628838 | 0.77 | CYP1A2 (0.36) | CYP1A2CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL13628822 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL13628861 | 0.76 | RAB9A (0.38) | CYP1A2CYP3A4TSHRCYP2C19CYP2C9 | |
| SCHEMBL13628856 | 0.72 | CNR2 (0.40) | TP53POLBLMNACNR1CNR2 | |
| SCHEMBL13628860 | 0.67 | PTGS2 (0.46) | TP53LMNA |
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 |