Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | RBP4 | P02753 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.37 |
| ▸ | BCL9 | O00512 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL17871674 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CYP1A2ATML3MBTL1CYP3A4 | |
| Bromomethane SCHEMBL19839345 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP1A2ATML3MBTL1CYP3A4 | |
| SCHEMBL2062808 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP1A2ATML3MBTL1CYP3A4 | |
| SCHEMBL2063171 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP1A2ATML3MBTL1CYP3A4 | |
| SCHEMBL6405149 | 0.76 | CHRM2 (0.49) | CHRM3CHRM1CHRM2 | |
| SCHEMBL17871670 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP1A2ATML3MBTL1CYP3A4 | |
| SCHEMBL2596487 | 0.74 | KEAP1 (0.50) | ALDH1A1CHRM3KEAP1NFE2L2RBP4 | |
| SCHEMBL6587443 | 0.74 | OPRL1 (0.43) | CYP1A2CYP3A4CYP2D6CHRM3KEAP1 | |
| SCHEMBL30128750 | 0.73 | ATM (0.50) | ALDH1A1CYP1A2ATML3MBTL1CYP3A4 | |
| SCHEMBL17294705 | 0.73 | ATM (0.50) | ALDH1A1CYP1A2ATML3MBTL1CYP3A4 |
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-1957451-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | Bodor, Nicholas S. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007059021-A1 | SOFT ANTICHOLINERGIC ZWITTERIONS | BODOR NICHOLAS S (US) | 2007-05-24 | — | — | WO | disclosed |