Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL5108694 | 1.00 | ALDH1A1 (0.46) | ALDH1A1GAACHRNA7CHRM2CHRM1 | |
| SCHEMBL5167294 | 1.00 | ALDH1A1 (0.46) | ALDH1A1GAACHRNA7CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL5471959 | 0.98 | ALDH1A1 (0.49) | ALDH1A1GAACHRNA7CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL2491331 | 0.98 | ALDH1A1 (0.49) | ALDH1A1GAACHRNA7CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL15329263 | 0.98 | ALDH1A1 (0.49) | ALDH1A1GAACHRNA7CHRM2CHRM1 | |
| SCHEMBL14078822 | 0.89 | CHRM2 (0.41) | ALDH1A1CHRNA7CHRM2CHRM1MEN1 | |
| SCHEMBL6990199 | 0.89 | CHRM2 (0.41) | ALDH1A1CHRNA7CHRM2CHRM1MEN1 | |
| SCHEMBL6990202 | 0.89 | CHRM2 (0.41) | ALDH1A1CHRNA7CHRM2CHRM1MEN1 | |
| Hydrochloric Acid SCHEMBL2419742 | 0.87 | CHRM2 (0.40) | ALDH1A1CHRNA7CHRM2CHRM1MEN1 | |
| Hydrochloric Acid SCHEMBL2419739 | 0.87 | CHRM2 (0.40) | ALDH1A1CHRNA7CHRM2CHRM1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487834-A1 | AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR | Bayer Aktiengesellschaft (DE) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003078431-A1 | AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR | BAYER HEALTHCARE AG (DE) | 2003-09-25 | — | — | WO | disclosed |