Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SLC29A1 | Q99808 | 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 | |
|---|---|---|---|---|
| SCHEMBL1997731 | 0.95 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL2248997 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL1996447 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL1996570 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL1996455 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL9906137 | 0.85 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL1995633 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL1999859 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL1999845 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL1993003 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8039489-B2 | Guanidine-containing compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| US-7960385-B2 | Guanidine-containing compounds useful as muscarinic receptor antagonists | THERAVANCE, INC. (US) | 2011-06-14 | — | — | US | disclosed |