Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1760996 | 0.95 | ADRA1A (0.40) | ADORA2AADORA1ADORA2BADRA1A | |
| SCHEMBL4054003 | 0.94 | ADORA2A (0.41) | ADORA2AADORA1CCR3ALDH1A1ADORA3 | |
| SCHEMBL12592822 | 0.89 | ADRA1A (0.44) | ADORA2AADORA1ADRA1A | |
| Trifluoroacetic Acid SCHEMBL2933045 | 0.89 | ADORA2A (0.34) | ADORA2AADORA1ADORA2BKDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL1760931 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL1761010 | 0.84 | ADORA2A (0.39) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL1761049 | 0.83 | MGLL (0.42) | ADORA2AADORA1ADORA2BCCR3KDM4E | |
| SCHEMBL1761078 | 0.81 | — | — | |
| Trifluoroacetic Acid SCHEMBL1760936 | 0.81 | PKM (0.40) | ADORA2AADORA1ADORA2BADORA3 | |
| Trifluoroacetic Acid SCHEMBL1761068 | 0.81 | ADORA2A (0.39) | ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7947692-B2 | Substituted thiazolo[5,4-d]pyrimidine urea derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-05-24 | — | — | US | claimed |
| US-7947692-B2 | Substituted thiazolo[5,4-d]pyrimidine urea derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-05-24 | — | — | US | disclosed |