Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4977941 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL4985771 | 0.99 | CYP1A2 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL4985765 | 0.99 | CYP1A2 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL4184498 | 0.87 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| Phencynonate SCHEMBL29506428 | 0.84 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| Phencynonate SCHEMBL7092217 | 0.84 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| Phencynonate SCHEMBL7093102 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| Phencynonate SCHEMBL29380090 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL4176964 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2D6CHRM3 | |
| SCHEMBL4184606 | 0.82 | CYP1A2 (0.51) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1968980-A1 | MUSCARINIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES, LTD. (IN) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007110782-A1 | MUSCARINIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2007-10-04 | — | — | WO | disclosed |