Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL7708813 | 0.91 | NPC1 (0.37) | NOTUMADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL7705951 | 0.85 | BACE1 (0.40) | NOTUMADORA2AADORA1ALDH1A1 | |
| SCHEMBL7711697 | 0.85 | ADORA2A (0.35) | ADORA2AKDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7702990 | 0.83 | ADORA2A (0.50) | ADORA2A | |
| SCHEMBL7711711 | 0.82 | ALDH1A1 (0.44) | ADORA2AKDM4EALDH1A1TP53 | |
| SCHEMBL7703193 | 0.81 | ADORA2A (0.46) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL7709236 | 0.81 | ALDH1A1 (0.48) | ADORA2AKDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7708391 | 0.81 | ADORA2A (0.45) | ADORA2AKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL7703234 | 0.81 | ADORA2A (0.38) | ADORA2AMEN1ALDH1A1 | |
| SCHEMBL7708387 | 0.80 | BACE1 (0.40) | ADORA2AMEN1ALDH1A1KMT2A |
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 |