Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.31 |
| ▸ | GABRG3 | Q99928 | 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 | |
|---|---|---|---|---|
| SCHEMBL1571777 | 0.82 | ALDH1A1 (0.34) | ALDH1A1LMNA | |
| SCHEMBL7421480 | 0.79 | ALDH1A1 (0.41) | ALDH1A1LMNACYP2C9CYP2C19NPSR1 | |
| SCHEMBL27667445 | 0.78 | ALDH1A1 (0.39) | ALDH1A1LMNACYP2C9CYP2C19NPSR1 | |
| SCHEMBL27869406 | 0.77 | ALDH1A1 (0.40) | ALDH1A1LMNACYP2C9CYP2C19NPSR1 | |
| SCHEMBL20567149 | 0.77 | LMNA (0.40) | ALDH1A1LMNACYP2C9CYP2C19NPSR1 | |
| SCHEMBL38655809 | 0.76 | ALDH1A1 (0.43) | ALDH1A1LMNACYP2C9CYP2C19NPSR1 | |
| SCHEMBL6837421 | 0.76 | HTT (0.31) | — | |
| SCHEMBL21121082 | 0.75 | ALDH1A1 (0.39) | ALDH1A1LMNACYP2C9CYP2C19NPSR1 | |
| SCHEMBL8816833 | 0.75 | ALDH1A1 (0.39) | ALDH1A1LMNACYP2C9CYP2C19NPSR1 | |
| SCHEMBL21996840 | 0.73 | ALDH1A1 (0.38) | ALDH1A1LMNANPSR1GABRA1GABRG2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2705029-A1 | NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES | Rhizen Pharmaceuticals S.A. (CH) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012151525-A9 | NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES | RHIZEN PHARMACEUTICALS SA (CH) | 2012-12-13 | — | — | WO | disclosed |
| WO-2012151525-A1 | NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES | RHIZEN PHARMACEUTICALS SA (CH) | 2012-11-08 | — | — | WO | disclosed |
| US-7932262-B2 | Quinazolines for PDK1 inhibition | NOVARTIS AG (CH) | 2011-04-26 | — | — | US | disclosed |