Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711685 | 0.89 | ADORA2A (0.57) | ADORA2AADORA3ADORA1KDM4EMEN1 | |
| SCHEMBL7711750 | 0.89 | ADORA2A (0.57) | ADORA2AADORA3ADORA1KDM4EMEN1 | |
| SCHEMBL7491175 | 0.87 | ADORA2A (0.55) | ADORA2AADORA3ADORA1KDM4EMEN1 | |
| SCHEMBL7708958 | 0.86 | ADORA2A (0.53) | ADORA2AADORA3ADORA1KDM4EMEN1 | |
| SCHEMBL7709141 | 0.85 | ADORA2A (0.53) | ADORA2AADORA3ADORA1KDM4EMEN1 | |
| SCHEMBL7709161 | 0.85 | ADORA2A (0.53) | ADORA2AADORA3ADORA1KDM4EMEN1 | |
| SCHEMBL7485337 | 0.84 | ADORA2A (0.40) | ADORA2AKDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL7709133 | 0.83 | ADORA2A (0.54) | ADORA2AADORA1KDM4EMEN1ALDH1A1 | |
| SCHEMBL7535250 | 0.83 | ADORA2A (0.42) | ADORA2A | |
| SCHEMBL7705853 | 0.81 | ADORA2A (0.53) | ADORA2AADORA3ADORA1KDM4EALDH1A1 |
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 |