Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.57 |
| ▸ | USP2 | O75604 | 10/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | CASP7 | P55210 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7938416 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7946228 | 0.85 | MTOR (0.48) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7944713 | 0.85 | CYP1A2 (0.47) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7938047 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7946218 | 0.82 | CYP1A2 (0.60) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL3226765 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7947917 | 0.73 | PDE4B (0.51) | CYP1A2CYP3A4USP2ALDH1A1CLK4 | |
| SCHEMBL7947571 | 0.72 | PDE4B (0.47) | PDE4B | |
| SCHEMBL7938164 | 0.71 | PDE4B (0.42) | CLK4PDE4B | |
| SCHEMBL7945984 | 0.70 | CYP1A2 (0.51) | CYP1A2CYP3A4USP2ALDH1A1TSHR |
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 |