Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28482564 | 0.89 | ALDH1A1 (0.47) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL15629800 | 0.83 | DRD2 (0.46) | CNR2 | |
| SCHEMBL25883860 | 0.81 | DRD2 (0.53) | — | |
| SCHEMBL10177552 | 0.80 | DRD2 (0.48) | CNR2 | |
| SCHEMBL2654775 | 0.80 | NPC1 (0.43) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10980305 | 0.78 | ALDH1A1 (0.53) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8752146 | 0.78 | ALDH1A1 (0.53) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL233178 | 0.77 | ESR2 (0.47) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10743018 | 0.74 | ALDH1A1 (0.49) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10743013 | 0.74 | ALDH1A1 (0.49) | ESR1ESR2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021123087-A1 | EGFR INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-06-24 | — | — | WO | disclosed |