Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8226285 | 0.90 | DGAT1 (0.40) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL4312796 | 0.84 | DGAT1 (0.43) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL11976878 | 0.84 | DGAT1 (0.43) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL14493341 | 0.81 | ADORA2A (0.37) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL23533512 | 0.79 | DGAT1 (0.34) | DGAT1NPC1 | |
| SCHEMBL30284929 | 0.78 | ADORA2A (0.36) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL29612533 | 0.78 | NPC1 (0.38) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL2144240 | 0.78 | ADORA2A (0.36) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL19023399 | 0.78 | NPC1 (0.38) | ADORA2AADORA2BDGAT1NPC1 | |
| SCHEMBL26039082 | 0.77 | DGAT1 (0.38) | ADORA2AADORA2BDGAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |