Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 4/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 4/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 4/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | 0.76 | ALDH1A1 (0.58) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL1554000 | 0.75 | MAPT (0.58) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL7147906 | 0.73 | MAPT (0.43) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL7149233 | 0.72 | CCNA2 (0.48) | CCNA2CDK2CCNA1ADORA2AADORA1 | |
| SCHEMBL30108046 | 0.72 | KDM4E (0.39) | CCNA2CDK2CCNA1ADORA2AADORA1 | |
| SCHEMBL30108071 | 0.72 | KDM4E (0.39) | CCNA2CDK2CCNA1ADORA2AADORA1 | |
| SCHEMBL31403712 | 0.72 | LOX (0.40) | CDK2LOXLOXL2 | |
| SCHEMBL30488014 | 0.71 | MAPT (0.53) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL29044796 | 0.71 | MAPT (0.53) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL9341596 | 0.70 | LOX (0.41) | CDK2LOXLOXL2 |
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 |