Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 12/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7150134 | 0.86 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BNPC1 | |
| SCHEMBL7146741 | 0.79 | ADORA2A (0.43) | ADORA2AADORA1ADORA3ADORA2BNPC1 | |
| SCHEMBL30353576 | 0.77 | ALDH1A1 (0.58) | ADORA2AADORA1ADORA3ADORA2BNPC1 | |
| SCHEMBL7146951 | 0.77 | ADORA2A (0.55) | ADORA2AADORA1ADORA3ADORA2BNPC1 | |
| SCHEMBL1554000 | 0.76 | MAPT (0.58) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL6266136 | 0.75 | NUDT1 (0.66) | NUDT1HRH4NPC1ALDH1A1MAPK1 | |
| SCHEMBL30107996 | 0.74 | ADORA2A (0.42) | ADORA2AADORA1ADORA3ADORA2BPTGS1 | |
| SCHEMBL7147906 | 0.74 | MAPT (0.43) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL7152523 | 0.74 | ADORA2A (0.62) | ADORA2AADORA1ADORA3ADORA2BHRH4 | |
| SCHEMBL7146168 | 0.74 | ALDH1A1 (0.60) | ADORA2AADORA1ADORA3ADORA2BHRH4 |
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-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |