Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 6/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20558178 | 0.69 | — | — | |
| Benzene SCHEMBL28198364 | 0.68 | SLC18A3 (0.59) | DRD2DRD3KCNH2CYP2D6SLC6A2 | |
| SCHEMBL381572 | 0.68 | SLC18A3 (0.59) | DRD2DRD3KCNH2CYP2D6SLC6A2 | |
| SCHEMBL4280 | 0.68 | SLC18A3 (0.59) | DRD2DRD3KCNH2CYP2D6SLC6A2 | |
| SCHEMBL383031 | 0.68 | SLC18A3 (0.59) | DRD2DRD3KCNH2CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL31233227 | 0.67 | DRD2 (0.57) | DRD2DRD3KCNH2HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL1765272 | 0.67 | DRD2 (0.57) | DRD2DRD3KCNH2HTR2AHTR2C | |
| SCHEMBL19559713 | 0.67 | CHEK1 (0.46) | DRD2DRD3KCNH2CYP2D6SLC6A2 | |
| SCHEMBL24127329 | 0.65 | DRD2 (0.47) | DRD2DRD3KCNH2CYP2D6SLC6A2 | |
| SCHEMBL20609687 | 0.65 | DRD2 (0.44) | DRD2DRD3HTR2A |
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-2991977-B1 | C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES | HOFFMANN LA ROCHE (CH) | 2020-07-22 | — | — | EP | disclosed |