Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 8/20 | 0.49 |
| ▸ | HTT | P42858 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 2/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12157315 | 0.79 | NPSR1 (0.57) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL880118 | 0.77 | AKT1 (0.62) | NPSR1PRKACAAKT1AKT2AKT3 | |
| SCHEMBL13327374 | 0.74 | NPSR1 (0.51) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL12157320 | 0.73 | NPSR1 (0.49) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL1978581 | 0.72 | SMN1; SMN2 (0.59) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL851695 | 0.71 | NPSR1 (0.49) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL851652 | 0.70 | PRKACA (0.53) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL851562 | 0.70 | PRKACA (0.53) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL851350 | 0.70 | PRKACA (0.53) | NPSR1HTTLMNAMEN1KMT2A | |
| SCHEMBL13539406 | 0.69 | NPSR1 (0.67) | NPSR1HTTLMNAMEN1KMT2A |
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-2433632-A1 | Compositions and combinations comprising non-racemic 2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol, for use in medicine | Astex Therapeutics Limited (GB) | 2012-03-28 | — | — | EP | disclosed |
| WO-2008110846-A2 | COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES | ASTEX THERAPEUTICS LIMITED (GB) | 2008-09-18 | — | — | WO | disclosed |