Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12393383 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CHRM3HRH3KCNH2OPRM1 | |
| SCHEMBL12393409 | 0.92 | ALDH1A1 (0.44) | ALDH1A1HRH3KCNH2OPRM1NPY2R | |
| SCHEMBL12393382 | 0.89 | NPY2R (0.39) | CHRM3HRH3KCNH2OPRM1NPY2R | |
| SCHEMBL12393397 | 0.88 | CHRM3 (0.39) | ALDH1A1CHRM3OPRM1 | |
| SCHEMBL11727246 | 0.84 | CHRM3 (0.46) | ALDH1A1CHRM3HRH3KCNH2OPRM1 | |
| SCHEMBL12393391 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CHRM3HRH3KCNH2OPRM1 | |
| SCHEMBL12393394 | 0.83 | CHRM3 (0.41) | ALDH1A1CHRM3 | |
| SCHEMBL11725897 | 0.83 | ATM (0.49) | ALDH1A1CHRM3KCNH2OPRM1 | |
| SCHEMBL12393380 | 0.82 | CHRM3 (0.40) | ALDH1A1CHRM3 | |
| SCHEMBL12393385 | 0.81 | CHRM3 (0.38) | CHRM3HRH3OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4002766-A | 1-R-3-PYRROLIDINYL-A,A-DIPHENYLACETAMIDES, -ACETONITRILES, AND -METHANES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1977-01-11 | — | — | US | disclosed |