Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 5/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | GCK | P35557 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28191486 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL28187985 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL28187361 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL15988339 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL28191535 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL28188102 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL3824873 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL3824877 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL24283825 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1GABRA1GABRB2 | |
| SCHEMBL24283843 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1GABRA1GABRB2 |
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-107445898-A | N substituted imidazole carboxylic acid ester compounds and preparation method thereof and purposes in medicine | 四川海思科制药有限公司 | 2017-12-08 | — | — | CN | disclosed |