Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.54 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.47 |
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.43 |
| ▸ | WHR1 | P49842 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL27775603 | 0.81 | SLC10A2 (0.46) | ADORA2AADORA1SLC10A2DHFRMAPT | |
| SCHEMBL7800633 | 0.80 | ADORA2A (0.45) | ADORA2AADORA1SLC10A2DHFR | |
| SCHEMBL3778066 | 0.77 | SLC10A2 (0.56) | ADORA2AADORA1SLC10A2SMPD3NOX1 | |
| SCHEMBL27754823 | 0.75 | SLC2A1 (0.46) | ADORA2AADORA1SLC10A2DHFRMAPT | |
| SCHEMBL27755188 | 0.75 | SLC10A2 (0.56) | ADORA2AADORA1SLC10A2DHFRMAPT | |
| SCHEMBL1257435 | 0.75 | WHR1 (0.71) | ADORA2AADORA1NUDT1DHFRWHR1 | |
| SCHEMBL30759714 | 0.75 | WHR1 (0.71) | ADORA2AADORA1NUDT1DHFRWHR1 | |
| SCHEMBL27775599 | 0.75 | ADORA2A (0.52) | ADORA2AADORA1SLC10A2DHFRADORA2B | |
| SCHEMBL27755284 | 0.75 | EGFR (0.46) | ADORA2AADORA1SLC10A2DHFR | |
| SCHEMBL27754944 | 0.73 | DHFR (0.45) | ADORA2AADORA1SLC10A2DHFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2531487-A1 | ARYL BENZYLAMINE COMPOUNDS | Novartis AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| EP-1158968-A2 | JAK-3 INHIBITORS FOR TREATING ALLERGIC DISORDERS | Parker Hughes Institute (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000051587-A2 | JAK-3 INHIBITORS FOR TREATING ALLERGIC DISORDERS | PARKER HUGHES INSTITUTE (US) | 2000-09-08 | — | — | WO | disclosed |