Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.42 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | PRDX1 | Q06830 | 1/20 | 0.42 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.42 |
| ▸ | PRKAB1 | Q9Y478 | 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 | |
|---|---|---|---|---|
| SCHEMBL8487174 | 0.84 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL29137583 | 0.76 | NPC1 (0.46) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL29137582 | 0.76 | NPC1 (0.46) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL27140897 | 0.74 | KDM1A (0.51) | KHK | |
| SCHEMBL818902 | 0.74 | KDM1A (0.51) | KHK | |
| SCHEMBL20015683 | 0.74 | KDM1A (0.51) | KHK | |
| SCHEMBL9544699 | 0.73 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL9544703 | 0.73 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AATM | |
| Hydrochloric Acid SCHEMBL7469122 | 0.73 | KDM1A (0.50) | KHK | |
| Hydrochloric Acid SCHEMBL27154699 | 0.73 | KDM1A (0.50) | KHK |
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-2018055096-A1 | DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | UNIVERSITY OF LJUBLJANA (SI) | 2018-03-29 | — | — | WO | disclosed |