Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18697197 | 0.71 | CYP2A6 (0.53) | ALDH1A1KDM4E | |
| SCHEMBL1160915 | 0.70 | MAOB (0.39) | ALDH1A1KDM4EERN1 | |
| SCHEMBL28812822 | 0.69 | CYP2A6 (0.54) | ALDH1A1KDM4E | |
| SCHEMBL248719 | 0.68 | ERN1 (0.50) | ALDH1A1KDM4EERN1 | |
| SCHEMBL5257267 | 0.66 | MEN1 (0.39) | ALDH1A1KDM4E | |
| SCHEMBL1808858 | 0.65 | TDP1 (0.48) | ALDH1A1ERN1 | |
| SCHEMBL604322 | 0.65 | TDP1 (0.43) | ALDH1A1ERN1 | |
| SCHEMBL1965867 | 0.65 | TDP1 (0.43) | ALDH1A1ERN1 | |
| SCHEMBL28190095 | 0.64 | CYP2A6 (0.36) | ALDH1A1KDM4EERN1 | |
| SCHEMBL150019 | 0.64 | ERN1 (0.46) | ALDH1A1KDM4EERN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104039323-A | Antibacterial compounds and methods of use | PTC THERAPEUTICS INC | 2014-09-10 | — | — | CN | disclosed |