Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL24774903 | 0.81 | NPC1 (0.39) | NPC1RAB9AGBA1 | |
| SCHEMBL31064460 | 0.72 | IDH1 (0.38) | — | |
| SCHEMBL11089872 | 0.71 | NPC1 (0.41) | NPC1RAB9AGBA1KDM4E | |
| SCHEMBL20714561 | 0.71 | NPC1 (0.47) | NPC1RAB9A | |
| SCHEMBL23507732 | 0.71 | NPC1 (0.47) | NPC1RAB9A | |
| SCHEMBL17845775 | 0.69 | — | — | |
| SCHEMBL20303574 | 0.69 | ALDH1A1 (0.36) | NPC1RAB9AKDM4E | |
| SCHEMBL27875523 | 0.69 | KDM4E (0.37) | NPC1RAB9AGBA1KDM4E | |
| SCHEMBL13981511 | 0.68 | KDM4E (0.39) | NPC1RAB9AKDM4E | |
| SCHEMBL29251485 | 0.68 | MAPK10 (0.36) | — |
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-2016095205-A1 | HETEROARYL OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |