Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25153263 | 0.89 | CYP3A4 (0.57) | CYP2D6CYP3A4CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL26442750 | 0.89 | SMN1; SMN2 (0.50) | CYP2D6SMN1; SMN2CYP2C19KDM4ECHRM2 | |
| Hydrochloric Acid SCHEMBL2945460 | 0.87 | SMN1; SMN2 (0.48) | CYP2D6CYP3A4SMN1; SMN2CYP2C19KDM4E | |
| SCHEMBL26088863 | 0.84 | SMN1; SMN2 (0.50) | CYP2D6CYP3A4CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL3382359 | 0.83 | CYP2D6 (0.48) | CYP2D6CYP2C19CHRM3BCHE | |
| SCHEMBL2895068 | 0.81 | CYP2D6 (0.43) | CYP2D6SMN1; SMN2CYP2C19CHRM2CHRM1 | |
| SCHEMBL3378663 | 0.80 | BCHE (0.50) | CYP2D6CYP2C19CHRM3BCHE | |
| SCHEMBL12026689 | 0.78 | CYP3A4 (0.44) | CYP2D6CYP3A4CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL27962873 | 0.77 | CHRM3 (0.41) | CYP2D6CYP3A4CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL2893650 | 0.75 | BCHE (0.60) | BCHE |
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-2804861-B1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS | GENOSCO (US) | 2018-02-28 | — | — | EP | disclosed |