Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 5/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1554000 | 0.78 | MAPT (0.58) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL7146741 | 0.76 | ADORA2A (0.43) | GRM4ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL29044796 | 0.74 | MAPT (0.53) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL30488014 | 0.74 | MAPT (0.53) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL28603596 | 0.74 | GRM4 (0.70) | GRM4HDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL30488038 | 0.74 | GRM4 (0.70) | GRM4HDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL718474 | 0.71 | HSP90AA1 (0.54) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL30353595 | 0.71 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL717572 | 0.71 | MAPT (0.54) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL30108078 | 0.71 | MAPT (0.50) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 |
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 |