Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 7/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.49 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CASP2 | P42575 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16669295 | 0.94 | FAAH (0.59) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL1498841 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL2914509 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL1498742 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL1498601 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL23521368 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL679248 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL11513011 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL8341797 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 | |
| SCHEMBL27505731 | 0.92 | FAAH (0.62) | FAAHPSMB5ASAH1MEN1MAPK1 |
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-2017079641-A1 | N-[2-(1 -BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1 -CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES | NEUROCRINE BIOSCIENCES, INC. (US) | 2017-05-11 | — | — | WO | disclosed |