Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 3/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22380426 | 0.77 | MAOB (0.54) | MAOAMAOB | |
| SCHEMBL991567 | 0.77 | CYP2A6 (0.42) | CYP2A6KDM1ARCOR1ALDH1A1ALOX15 | |
| SCHEMBL24698364 | 0.76 | MAOB (0.42) | CYP2A6KDM1ARCOR1ALDH1A1ALOX15 | |
| SCHEMBL15401384 | 0.75 | TAAR1 (0.39) | CYP2A6KDM1ARCOR1TAAR1 | |
| SCHEMBL15401382 | 0.75 | TAAR1 (0.39) | CYP2A6KDM1ARCOR1TAAR1 | |
| Hydrochloric Acid SCHEMBL5060581 | 0.75 | KDM1A (0.40) | CYP2A6KDM1ARCOR1ALDH1A1ALOX15 | |
| SCHEMBL237630 | 0.74 | TAAR1 (0.34) | CYP2A6KDM1ARCOR1ALDH1A1ALOX15 | |
| SCHEMBL2038191 | 0.74 | TAAR1 (0.34) | CYP2A6KDM1ARCOR1ALDH1A1ALOX15 | |
| SCHEMBL24510105 | 0.74 | SLC6A3 (0.43) | MEN1RAD52KMT2ATAAR1MAOA | |
| SCHEMBL9966307 | 0.73 | AKT1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012027322-A1 | OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-01 | — | — | WO | disclosed |