Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | ADH1A | P07327 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7659266 | 0.83 | SLC1A3 (0.35) | — | |
| SCHEMBL17416331 | 0.81 | ADH1B (0.30) | ADH1BADH1CADH1A | |
| SCHEMBL27868667 | 0.78 | — | — | |
| SCHEMBL1195466 | 0.76 | SLC1A3 (0.39) | — | |
| SCHEMBL6675517 | 0.76 | SLC1A3 (0.39) | — | |
| SCHEMBL1196065 | 0.76 | SLC1A3 (0.39) | — | |
| SCHEMBL4272520 | 0.73 | ADH1B (0.34) | ADH1BADH1CADH1A | |
| SCHEMBL15327593 | 0.70 | SLC1A3 (0.38) | — | |
| SCHEMBL17245264 | 0.70 | MMP1 (0.43) | — | |
| SCHEMBL10417536 | 0.70 | MMP1 (0.43) | — |
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-104703991-B | Macrocyclic Inhibitors of Flaviviridae Viruses | 吉利德科学公司 | 2018-03-23 | — | — | CN | disclosed |