Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | RBP4 | P02753 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2932276 | 0.93 | CYP2D6 (0.41) | ADORA2BADORA2AADORA1RAF1ALDH1A1 | |
| SCHEMBL2931360 | 0.89 | GPR6 (0.47) | ADORA2BADORA2AADORA1FAAHKCNH2 | |
| SCHEMBL1760933 | 0.89 | FAAH (0.54) | ADORA2BADORA2AADORA1FAAHRBP4 | |
| SCHEMBL2930504 | 0.89 | FAAH (0.45) | FAAHPHGDHSIGMAR1ALDH1A1MEN1 | |
| SCHEMBL2931169 | 0.89 | OGA (0.38) | ADORA2BADORA2AADORA1FAAHMEN1 | |
| SCHEMBL3049811 | 0.88 | MEN1 (0.42) | ADORA2AFAAHPHGDHCACNA1GSIGMAR1 | |
| SCHEMBL2929411 | 0.88 | ADORA2A (0.41) | ADORA2AADORA1ALDH1A1MEN1KMT2A | |
| SCHEMBL2932113 | 0.88 | ADORA2B (0.52) | ADORA2BADORA2AADORA1FAAHPHGDH | |
| SCHEMBL2923724 | 0.87 | KDM4E (0.46) | ADORA2AALDH1A1KMT2AKDM4EGAA | |
| SCHEMBL2931742 | 0.87 | MEN1 (0.38) | ADORA2BADORA2AADORA1PHGDHMEN1 |
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 |