Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 12/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL5036849 | 0.83 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL5040419 | 0.83 | ADORA2A (0.48) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL5040198 | 0.81 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL6441873 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL5040165 | 0.80 | ALDH1A1 (0.41) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL6442392 | 0.79 | ADORA2A (0.46) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL6446153 | 0.76 | ADORA2A (0.38) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL6441055 | 0.76 | ADORA2A (0.52) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL5039757 | 0.75 | ADORA2A (0.44) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| SCHEMBL5044329 | 0.75 | KDM4E (0.43) | ADORA2AADORA1ADORA3ADORA2BKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| 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 |
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | WO | disclosed |