Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6600585 | 0.80 | HRH3 (0.47) | HRH3 | |
| SCHEMBL16026414 | 0.80 | — | — | |
| SCHEMBL190131 | 0.78 | USP2 (0.50) | — | |
| SCHEMBL1943559 | 0.76 | HRH3 (0.45) | HRH3 | |
| SCHEMBL15721208 | 0.72 | RAB9A (0.33) | — | |
| SCHEMBL4359416 | 0.69 | HRH3 (0.46) | HRH3 | |
| SCHEMBL1991044 | 0.69 | CYP1A2 (0.47) | HRH3 | |
| SCHEMBL2822954 | 0.69 | HRH3 (0.41) | HRH3 | |
| SCHEMBL9079929 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL22441554 | 0.69 | CYP2D6 (0.40) | HRH3PDK2 |
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-2032582-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007122410-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-11-01 | — | — | WO | disclosed |