Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | DRD1 | P21728 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL16491477 | 0.84 | CHRM2 (0.54) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL434743 | 0.83 | CYP2D6 (0.56) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL4445537 | 0.83 | CYP2D6 (0.72) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL2760196 | 0.83 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Hydrochloric Acid SCHEMBL5379223 | 0.81 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL1276585 | 0.81 | CHRM2 (0.59) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Hydrochloric Acid SCHEMBL28388436 | 0.81 | CYP2D6 (0.53) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL6439932 | 0.80 | CYP2D6 (0.53) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL12120297 | 0.79 | CYP2D6 (0.45) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Alcohol SCHEMBL7553089 | 0.79 | POLB (0.54) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 |
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-2316831-B1 | 2-(morpholin-4-yl)pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer | NOVARTIS AG (CH) | 2013-03-06 | — | — | EP | disclosed |