Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 19/20 | 0.69 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.69 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6441217 | 0.85 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BALDH1A1KMT2A | |
| SCHEMBL6442413 | 0.84 | ADORA1 (0.73) | ADORA1ADORA2AADORA2BALDH1A1LMNA | |
| SCHEMBL6104966 | 0.84 | ADORA1 (0.71) | ADORA1ADORA2AADORA2BALDH1A1LMNA | |
| SCHEMBL6440883 | 0.82 | ADORA1 (0.67) | ADORA1ADORA2AADORA2BALDH1A1HPGD | |
| SCHEMBL6441330 | 0.82 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BALDH1A1LMNA | |
| SCHEMBL6446302 | 0.80 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BALDH1A1LMNA | |
| SCHEMBL6445033 | 0.80 | ADORA1 (0.69) | ADORA1ADORA2AADORA2BALDH1A1LMNA | |
| SCHEMBL6441578 | 0.78 | ADORA1 (0.67) | ADORA1ADORA2AADORA2BALDH1A1LMNA | |
| SCHEMBL6104540 | 0.78 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BALDH1A1HPGD | |
| SCHEMBL13036575 | 0.77 | ADORA1 (0.52) | ADORA1ADORA2AADORA2BALDH1A1LMNA |
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 2 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 |