Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7151993 | 0.87 | KDM4E (0.57) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL7151390 | 0.82 | ADORA2A (0.55) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL7145784 | 0.79 | KDM4E (0.54) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL7146168 | 0.78 | ALDH1A1 (0.60) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL7147873 | 0.77 | ADORA2A (0.57) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL1554000 | 0.75 | MAPT (0.58) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL6623542 | 0.74 | ADORA2A (0.67) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7152501 | 0.72 | ADORA2A (0.43) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL30353595 | 0.71 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BKMT2A | |
| SCHEMBL29044796 | 0.71 | MAPT (0.53) | ADORA2AADORA1ADORA3ADORA2BKMT2A |
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 |