Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7850863 | 0.87 | PKM (0.43) | SIGMAR1AURKACDK1CCNB1 | |
| SCHEMBL3836948 | 0.79 | ALDH1A1 (0.54) | MAPK1 | |
| SCHEMBL4931400 | 0.77 | SIGMAR1 (0.48) | SIGMAR1CYP2D6MAPK1HRH3PTGS2 | |
| SCHEMBL1355876 | 0.77 | SIGMAR1 (0.43) | SIGMAR1CYP2D6MAPK1HRH3AURKA | |
| SCHEMBL1355593 | 0.75 | SIGMAR1 (0.41) | SIGMAR1CYP2D6MAPK1PTGS2AURKA | |
| SCHEMBL11710790 | 0.71 | LTA4H (0.50) | CYP2D6MAPK1HRH3 | |
| SCHEMBL11713568 | 0.71 | LTA4H (0.50) | CYP2D6MAPK1HRH3 | |
| SCHEMBL11710785 | 0.69 | LTA4H (0.51) | SIGMAR1HRH3 | |
| SCHEMBL7849449 | 0.69 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL7839475 | 0.68 | KEAP1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2108020-A2 | 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES | Biogen Idec MA, Inc. (US) | 2009-10-14 | — | — | EP | disclosed |
| WO-2008094602-A2 | 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES | BIOGEN IDEC MA INC. (US) | 2008-08-07 | — | — | WO | disclosed |