Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.34 |
| ▸ | OGA | O60502 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | FLT4 | P35916 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 SCHEMBL1760939 | 0.89 | ADORA2A (0.39) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL1760996 | 0.85 | ADRA1A (0.40) | ADORA2AADORA1ADORA2BADRA1A | |
| SCHEMBL3053848 | 0.83 | OGA (0.40) | ADORA2AADORA3ADORA1OGAHTT | |
| SCHEMBL4054003 | 0.83 | ADORA2A (0.41) | ADORA2AADORA3ADORA1ALDH1A1MAPT | |
| SCHEMBL2925732 | 0.82 | EIF4E (0.37) | ADORA2AADORA3ADORA1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3051009 | 0.79 | OGA (0.36) | ADORA2AADORA3ADORA1OGAHTT | |
| SCHEMBL12592822 | 0.78 | ADRA1A (0.44) | ADORA2AADORA1ADRA1A | |
| SCHEMBL2930871 | 0.77 | ADORA2A (0.49) | ADORA2AADORA1OGAHTTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL1760931 | 0.77 | — | — | |
| SCHEMBL2926408 | 0.77 | HSD11B1 (0.46) | HTTALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2027132-B1 | THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-09-15 | — | — | EP | claimed |