Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7711726 | 0.89 | ADORA2A (0.54) | ADORA2ANPC1RAB9AADORA3 | |
| SCHEMBL7705607 | 0.86 | NPC1 (0.52) | ADORA2ANPC1RAB9A | |
| SCHEMBL7705869 | 0.83 | ADORA2A (0.56) | ADORA2ANPC1RAB9A | |
| SCHEMBL7703126 | 0.82 | ADORA2A (0.53) | ADORA2ANPC1RAB9AADORA3 | |
| SCHEMBL7705879 | 0.82 | ADORA2A (0.56) | ADORA2A | |
| SCHEMBL7703027 | 0.82 | ADORA2A (0.51) | ADORA2ANPC1RAB9AADORA3 | |
| SCHEMBL7708821 | 0.78 | ADORA2A (0.54) | ADORA2AADORA3 | |
| SCHEMBL7711821 | 0.78 | ADORA2A (0.54) | ADORA2AADORA3 | |
| SCHEMBL7490670 | 0.78 | ADORA2A (0.62) | ADORA2AADORA3 | |
| SCHEMBL7702974 | 0.78 | ADORA2A (0.49) | ADORA2ANPC1RAB9AADORA3 |
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 |