Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.39 |
| ▸ | CASP1 | P29466 | 7/20 | 0.39 |
| ▸ | CASP7 | P55210 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | RPS27 | P42677 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 6/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7937867 | 0.87 | ALDH1A1 (0.36) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL7945987 | 0.85 | TYRO3 (0.36) | CYP1A2ALDH1A1CYP2D6CASP1CASP7 | |
| SCHEMBL7938346 | 0.85 | ALDH1A1 (0.38) | CYP1A2ALDH1A1CYP2C9CYP2D6CASP1 | |
| SCHEMBL7947006 | 0.82 | ALDH1A1 (0.34) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL7944790 | 0.82 | ADORA2A (0.37) | CYP1A2ALDH1A1CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL3227758 | 0.80 | CYP1A2 (0.41) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7938052 | 0.79 | CCND1 (0.38) | CYP1A2ALDH1A1CYP3A4CYP2C9CASP1 | |
| SCHEMBL7944000 | 0.78 | ALDH1A1 (0.33) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL7938054 | 0.77 | AKT1 (0.41) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7937737 | 0.77 | ALDH1A1 (0.37) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 |
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-2010008775-A1 | AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |