Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14501800 | 0.82 | ADORA2A (0.50) | ALDH1A1HTTCDC7ADORA2AADORA1 | |
| SCHEMBL13946982 | 0.79 | ALDH1A1 (0.50) | ALDH1A1ADORA1KMT2AMEN1MAPT | |
| SCHEMBL13946616 | 0.77 | PKM (0.54) | ALDH1A1GAAHTTADORA2AADORA1 | |
| SCHEMBL13946172 | 0.75 | KMT2A (0.53) | ALDH1A1KMT2AMAPTTHRBKDM4E | |
| SCHEMBL10691876 | 0.74 | PDE2A (0.55) | ALDH1A1HTTCDC7PDE2ACYP3A4 | |
| SCHEMBL13946594 | 0.73 | PDGFRB (0.47) | — | |
| SCHEMBL13946598 | 0.73 | KMT2A (0.43) | ALDH1A1SRCKMT2AMAPTKDM4E | |
| SCHEMBL13945492 | 0.72 | ALDH1A1 (0.48) | ALDH1A1GAAMAPK1KMT2AMEN1 | |
| SCHEMBL13945510 | 0.72 | IDO1 (0.57) | CYP1A1CYP1B1SRCKMT2AABL1 | |
| SCHEMBL29554628 | 0.71 | PIM1 (0.54) | ALDH1A1GAAHTTADORA2AADORA1 |
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-1603886-B1 | 4-SUBSTITUTED-5-CYANO-1H-PYRIMIDIN-6-(THI)ONES AS GSK-3 INHIBITORS | VERTEX PHARMA (US) | 2009-02-18 | — | — | EP | disclosed |