Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7703027 | 0.86 | ADORA2A (0.51) | ADORA2AKDM4EADORA3NPC1ALDH1A1 | |
| SCHEMBL7705607 | 0.80 | NPC1 (0.52) | ADORA2AKDM4EHSD17B10NPC1ALDH1A1 | |
| SCHEMBL7702974 | 0.78 | ADORA2A (0.49) | ADORA2AKDM4EHSD17B10ADORA3NPC1 | |
| SCHEMBL7708964 | 0.78 | ADORA2A (0.52) | ADORA2AKDM4EADORA3ALDH1A1 | |
| SCHEMBL7711821 | 0.77 | ADORA2A (0.54) | ADORA2AKDM4EADORA3ALDH1A1SMN1; SMN2 | |
| SCHEMBL7708427 | 0.77 | ADORA2A (0.53) | ADORA2AADORA3NPC1RAB9A | |
| SCHEMBL7703022 | 0.76 | NPC1 (0.56) | ADORA2ANPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL7711762 | 0.76 | ADORA2A (0.52) | ADORA2AKDM4EADORA3ALDH1A1 | |
| SCHEMBL7705869 | 0.75 | ADORA2A (0.56) | ADORA2AKDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL7702990 | 0.75 | ADORA2A (0.50) | ADORA2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |