Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2931875 | 0.92 | ALDH1A1 (0.40) | ADORA2AADORA3ADORA1MAPTALDH1A1 | |
| SCHEMBL2931791 | 0.90 | RPS6KB1 (0.37) | ADORA2AADORA1RPS6KB1CCR3CCR5 | |
| SCHEMBL1760975 | 0.87 | CCR3 (0.41) | ADORA2AADORA3ADORA1CCR3MAPT | |
| SCHEMBL2930816 | 0.87 | STAT3 (0.40) | ACHECCR3CYP2D6CXCR1CXCR2 | |
| SCHEMBL2930809 | 0.84 | LMNA (0.40) | ADORA2AADORA3ADORA1ACHEMAPT | |
| SCHEMBL2930544 | 0.81 | GHSR (0.36) | ADORA2AADORA3ADORA1MAPTALDH1A1 | |
| SCHEMBL2925314 | 0.80 | ADORA2B (0.42) | ADORA2AADORA1RIPK1 | |
| SCHEMBL1760986 | 0.78 | MEN1 (0.50) | CCR3MAPTALDH1A1LMNA | |
| SCHEMBL1761011 | 0.77 | CCR3 (0.46) | ADORA2AADORA1CCR3 | |
| SCHEMBL2929673 | 0.76 | SCN9A (0.42) | ADORA2AADORA3ADORA1CCR3 |
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 |