Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 4/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2799330 | 0.86 | IDO1 (0.40) | CYP2A6GRM5IDO1TDO2CACNA2D1 | |
| SCHEMBL17604705 | 0.76 | ALOX5 (0.36) | ALOX5IDO1TDO2CACNA2D1CACNB2 | |
| SCHEMBL6958800 | 0.72 | — | — | |
| SCHEMBL17032815 | 0.72 | GRM5 (0.44) | CYP2A6GRM5ALOX5IKBKBTDP1 | |
| SCHEMBL9299297 | 0.71 | ALOX5 (0.37) | GRM5ALOX5IKBKB | |
| SCHEMBL20217413 | 0.69 | — | — | |
| SCHEMBL31556324 | 0.68 | CYP3A4 (0.44) | CYP2A6ALOX5IDO1TDO2L3MBTL1 | |
| Bromide SCHEMBL23883200 | 0.66 | CYP2A6 (0.41) | CYP2A6GRM5IDO1TDO2TDP1 | |
| SCHEMBL5101400 | 0.65 | — | — | |
| SCHEMBL1300584 | 0.65 | — | — |
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-1438309-A1 | QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS | UCB, S.A. (BE) | 2004-07-21 | — | — | EP | claimed |
| WO-2003033495-A1 | QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS | UCB, S.A. (BE) | 2003-04-24 | — | — | WO | claimed |