Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 7/20 | 0.52 |
| ▸ | SCD | O00767 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3366568 | 0.89 | ALDH1A1 (0.54) | ALDH1A1HCRTR2HCRTR1 | |
| SCHEMBL3370370 | 0.88 | HCRTR1 (0.60) | HCRTR2HCRTR1SCDUSP30RAB9A | |
| SCHEMBL3366778 | 0.86 | HCRTR1 (0.58) | ALDH1A1HCRTR2HCRTR1USP30RAB9A | |
| SCHEMBL3370256 | 0.84 | HCRTR2 (0.49) | ALDH1A1HCRTR2HCRTR1SCDKCNH2 | |
| SCHEMBL3370346 | 0.84 | HCRTR2 (0.52) | ALDH1A1HCRTR2HCRTR1SCDRAB9A | |
| SCHEMBL3370671 | 0.84 | HCRTR2 (0.49) | ALDH1A1HCRTR2HCRTR1SCDKCNH2 | |
| SCHEMBL3366725 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HCRTR2HCRTR1SCDKCNH2 | |
| SCHEMBL3368239 | 0.84 | ALDH1A1 (0.56) | ALDH1A1HCRTR2HCRTR1SCDKCNH2 | |
| SCHEMBL3366930 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HCRTR2HCRTR1KCNH2RAB9A | |
| SCHEMBL3366115 | 0.82 | HCRTR1 (0.58) | ALDH1A1HCRTR2HCRTR1SCD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532141-B1 | 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS | GRUENENTHAL GMBH (DE) | 2010-10-13 | — | — | EP | disclosed |