Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL699328 | 0.87 | CYP2A6 (0.42) | CYP2A6KIF11PPARGPPARDPPARA | |
| SCHEMBL26144297 | 0.85 | CYP2A6 (0.43) | CYP2A6CYP17A1KIF11CHRNA7HTR3A | |
| SCHEMBL2095399 | 0.73 | CYP2A6 (0.46) | CYP2A6KIF11 | |
| SCHEMBL3684920 | 0.73 | CYP2A6 (0.55) | CYP2A6KIF11MEN1KMT2A | |
| SCHEMBL424317 | 0.72 | CYP2A6 (0.48) | CYP2A6CYP17A1CHRNA7HTR3A | |
| SCHEMBL5542590 | 0.72 | NPC1 (0.42) | CYP2A6KIF11 | |
| SCHEMBL13447302 | 0.72 | HRH4 (0.36) | KIF11PPARA | |
| SCHEMBL25037436 | 0.70 | CYP2A6 (0.56) | CYP2A6KIF11CHRNA7HTR3AMEN1 | |
| SCHEMBL14093011 | 0.70 | KIF11 (0.45) | CYP17A1KIF11PPARGPPARDPPARA | |
| SCHEMBL14048577 | 0.70 | POLB (0.48) | CYP2A6KIF11MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |