Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2927982 | 0.93 | ADORA2B (0.47) | ADORA2BADORA2AADORA1RAF1ALDH1A1 | |
| SCHEMBL2930506 | 0.89 | GPR6 (0.38) | ALDH1A1 | |
| SCHEMBL1761017 | 0.88 | CYP2D6 (0.44) | CYP2D6TSHRADORA2BADORA2AADORA1 | |
| SCHEMBL2930508 | 0.88 | GPR6 (0.34) | ADORA2AADORA1 | |
| SCHEMBL2931482 | 0.87 | MEN1 (0.39) | ADORA2BADORA2AADORA1 | |
| SCHEMBL2931742 | 0.87 | MEN1 (0.38) | ADORA2BADORA2AADORA1 | |
| SCHEMBL2932134 | 0.87 | PPARD (0.42) | — | |
| SCHEMBL2929411 | 0.86 | ADORA2A (0.41) | TSHRADORA2AADORA1ALDH1A1 | |
| SCHEMBL2930809 | 0.85 | LMNA (0.40) | ADORA2AADORA1ALDH1A1 | |
| SCHEMBL2931360 | 0.85 | GPR6 (0.47) | ADORA2BADORA2AADORA1ABL1 |
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 |