Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18231831 | 0.74 | ADH1B (0.41) | ADH1BADH1CADH1A | |
| SCHEMBL14733935 | 0.74 | — | — | |
| SCHEMBL14671677 | 0.71 | ADH1B (0.31) | ADH1BADH1CADH1A | |
| SCHEMBL21217019 | 0.69 | ADH1B (0.44) | ADH1BADH1CADH1A | |
| SCHEMBL21129320 | 0.68 | — | — | |
| SCHEMBL22664724 | 0.67 | — | — | |
| SCHEMBL20880074 | 0.67 | — | — | |
| SCHEMBL14023928 | 0.67 | — | — | |
| SCHEMBL13624519 | 0.67 | — | — | |
| SCHEMBL18569708 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3808739-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | Vertex Pharmaceuticals Incorporated (US) | 2021-04-21 | — | — | EP | disclosed |
| EP-3309152-A1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-04-18 | — | — | EP | disclosed |