Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1760883 | 0.89 | ADORA2B (0.55) | ADORA2BADORA2AADORA1FAAHPHGDH | |
| SCHEMBL2927982 | 0.88 | ADORA2B (0.47) | ADORA2BADORA2AADORA1FAAHPHGDH | |
| SCHEMBL2931122 | 0.83 | ADORA2A (0.55) | ADORA2BADORA2AADORA1SMN1; SMN2KDM4E | |
| SCHEMBL2932276 | 0.80 | CYP2D6 (0.41) | ADORA2BADORA2AADORA1TSHRALDH1A1 | |
| SCHEMBL2931482 | 0.78 | MEN1 (0.39) | ADORA2BADORA2AADORA1 | |
| SCHEMBL2931360 | 0.77 | GPR6 (0.47) | ADORA2BADORA2AADORA1FAAH | |
| SCHEMBL1760933 | 0.76 | FAAH (0.54) | ADORA2BADORA2AADORA1FAAHPHGDH | |
| SCHEMBL2930504 | 0.76 | FAAH (0.45) | FAAHPHGDHTSHRKDM4EALDH1A1 | |
| SCHEMBL2931169 | 0.76 | OGA (0.38) | ADORA2BADORA2AADORA1FAAH | |
| SCHEMBL3049811 | 0.75 | MEN1 (0.42) | ADORA2AFAAHPHGDHTSHRMAPK1 |
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 |