Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.31 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.31 |
| ▸ | PRCP | P42785 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12680861 | 0.91 | GSK3B (0.36) | GSK3BGSK3AADORA2ACYP1A2CYP2D6 | |
| SCHEMBL10270029 | 0.84 | GSK3B (0.36) | GSK3BGSK3ACYP2C9CYP2C19DPP4 | |
| SCHEMBL12681520 | 0.83 | GSK3B (0.39) | GSK3BADORA2ADPP4DPP8DPP9 | |
| SCHEMBL12680853 | 0.83 | GSK3B (0.47) | GSK3BADORA2AMAOAMAOB | |
| SCHEMBL10270318 | 0.82 | ALDH1A1 (0.36) | GSK3BGSK3AADORA2ACYP1A2CYP2D6 | |
| SCHEMBL12680493 | 0.80 | CYP1A2 (0.41) | ADORA2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8006538 | 0.79 | GSK3B (0.34) | GSK3BGSK3ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12680465 | 0.78 | CYP1A2 (0.40) | ADORA2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10270758 | 0.78 | GSK3B (0.34) | GSK3BGSK3ACYP2C9CYP2C19DPP4 | |
| SCHEMBL10270037 | 0.77 | GSK3B (0.36) | GSK3BGSK3ACYP2C9CYP2C19DPP4 |
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-2137188-B1 | SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES | Bayer Pharma AG (DE) | 2012-06-06 | — | — | EP | disclosed |