Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7709133 | 0.89 | ADORA2A (0.54) | ADORA2AADORA1NPC1ALDH1A1HPGD | |
| SCHEMBL7711685 | 0.87 | ADORA2A (0.57) | ADORA2AADORA1ADORA3NPC1ALDH1A1 | |
| SCHEMBL7711783 | 0.87 | ADORA2A (0.53) | ADORA2AADORA1NPC1ALDH1A1HPGD | |
| SCHEMBL7711758 | 0.86 | ADORA2A (0.50) | ADORA2AADORA1ADORA3NPC1ALDH1A1 | |
| SCHEMBL7487041 | 0.85 | ADORA2A (0.51) | ADORA2AADORA1ADORA3ADORA2BNPC1 | |
| SCHEMBL7711750 | 0.82 | ADORA2A (0.57) | ADORA2AADORA1ADORA3NPC1ALDH1A1 | |
| SCHEMBL7709007 | 0.82 | ADORA2A (0.53) | ADORA2AADORA1ADORA3ADORA2BNPC1 | |
| SCHEMBL7711711 | 0.82 | ALDH1A1 (0.44) | ADORA2ANPC1ALDH1A1HPGDNFKB1 | |
| SCHEMBL7485299 | 0.82 | ADORA2A (0.56) | ADORA2A | |
| SCHEMBL7705907 | 0.81 | ADORA2A (0.56) | ADORA2AADORA1ADORA3ALDH1A1KDM4E |
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 |