Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15775569 | 0.88 | NPC1 (0.52) | NPC1RAB9AGSK3BPDE10AHSD17B10 | |
| SCHEMBL15776680 | 0.75 | NPC1 (0.50) | NPC1RAB9ATP53LMNAMAPK1 | |
| SCHEMBL18980089 | 0.74 | KDM4E (0.53) | GSK3BHSD17B10KDM4EL3MBTL1LMNA | |
| SCHEMBL18980404 | 0.73 | KDM4E (0.46) | PDE10AKDM4EL3MBTL1LMNA | |
| SCHEMBL28409561 | 0.73 | NPC1 (1.00) | NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL19008985 | 0.71 | TP53 (0.48) | NPC1HSD17B10KDM4ETP53L3MBTL1 | |
| SCHEMBL20658609 | 0.70 | NOTUM (0.54) | KDM4E | |
| SCHEMBL29722388 | 0.69 | ALDH1A1 (0.49) | L3MBTL1LMNA | |
| SCHEMBL19010557 | 0.69 | ALDH1A1 (0.49) | L3MBTL1LMNA | |
| SCHEMBL6072449 | 0.69 | HCAR2 (0.50) | GSK3BHSD17B10HCAR2KDM4ETP53 |
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-2014086453-A1 | AZAHETEROBICYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-12 | — | — | WO | claimed |