Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | CCR4 | P51679 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3370504 | 0.90 | CYP2C19 (0.43) | CYP2C19ALDH1A1POLBKDM4EHPGD | |
| SCHEMBL3367339 | 0.90 | CYP2C19 (0.43) | CYP2C19USP30ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL3364395 | 0.89 | ALDH1A1 (0.49) | CYP2C19USP30FKBP1AALDH1A1NPC1 | |
| SCHEMBL3366078 | 0.87 | HCRTR1 (0.46) | CYP2C19FKBP1AALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL3368542 | 0.87 | GPR142 (0.48) | CYP2C19USP30ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL3370281 | 0.86 | MAPT (0.44) | CYP2C19ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL3370219 | 0.85 | KDM4E (0.49) | CYP2C19USP30FKBP1AALDH1A1DPP4 | |
| SCHEMBL3370356 | 0.84 | ALDH1A1 (0.51) | CYP2C19FKBP1AALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL3366848 | 0.83 | ALDH1A1 (0.48) | CYP2C19FKBP1AALDH1A1POLBKDM4E | |
| SCHEMBL3370780 | 0.82 | CYP2C19 (0.41) | CYP2C19USP30ALDH1A1HCRTR1HCRTR2 |
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 |