Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 19/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 6/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.43 |
| ▸ | USP2 | O75604 | 7/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.42 |
| ▸ | CASP1 | P29466 | 5/20 | 0.42 |
| ▸ | CASP7 | P55210 | 5/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7938231 | 0.87 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL7943737 | 0.86 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL3223334 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL7938293 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL7947972 | 0.82 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL7937482 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL7937742 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL927379 | 0.81 | CYP1A2 (0.72) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL7944111 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9TSHRALOX15 | |
| SCHEMBL7944713 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9TSHRALOX15 |
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 |