Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.48 |
| ▸ | CASP1 | P29466 | 11/20 | 0.48 |
| ▸ | CASP7 | P55210 | 10/20 | 0.48 |
| ▸ | USP2 | O75604 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 7/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.45 |
| ▸ | GLA | P06280 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5155796 | 0.94 | CYP1A2 (0.49) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL14407605 | 0.90 | CYP1A2 (0.50) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL5152081 | 0.90 | CYP1A2 (0.50) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL5154014 | 0.88 | CYP1A2 (0.54) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL5153313 | 0.85 | CYP1A2 (0.49) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL5175702 | 0.84 | CYP1A2 (0.51) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL5157324 | 0.83 | CYP1A2 (0.49) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL8241134 | 0.82 | CYP1A2 (0.41) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL5157503 | 0.82 | CYP1A2 (0.52) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 | |
| SCHEMBL5153031 | 0.81 | CYP1A2 (0.48) | CYP1A2ALDH1A1CYP3A4CASP1CASP7 |
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-2007030438-A2 | AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | PHARMACOPEIA, INC. (US) | 2007-03-15 | — | — | WO | disclosed |