Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 12/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | TPH1 | P17752 | 1/20 | 0.40 |
| ▸ | TPH2 | Q8IWU9 | 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 | |
|---|---|---|---|---|
| SCHEMBL30353576 | 0.84 | ALDH1A1 (0.58) | MAPTHSD17B10ADORA2AADORA1ADORA2B | |
| SCHEMBL1554000 | 0.79 | MAPT (0.58) | MAPTHSD17B10ADORA2AADORA1ADORA2B | |
| SCHEMBL29044796 | 0.78 | MAPT (0.53) | MAPTHSD17B10ADORA2AADORA1ADORA2B | |
| SCHEMBL30488014 | 0.78 | MAPT (0.53) | MAPTHSD17B10ADORA2AADORA1ADORA2B | |
| SCHEMBL30579455 | 0.76 | NPC1 (0.69) | MAPTHSD17B10ADORA2AADORA1KDM4E | |
| SCHEMBL30353595 | 0.75 | ADORA2A (0.50) | MAPTHSD17B10ADORA2AADORA1ADORA2B | |
| SCHEMBL7147989 | 0.74 | NUDT1 (0.53) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL6828247 | 0.74 | NUDT1 (0.44) | MAPTALDH1A1 | |
| SCHEMBL7147072 | 0.73 | CCNA2 (0.45) | MAPTHSD17B10ADORA2AADORA1ADORA2B | |
| SCHEMBL718474 | 0.72 | HSP90AA1 (0.54) | MAPTHSD17B10ADORA2AADORA1ADORA2B |
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 |