Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL22374375 | 0.91 | KCNH2 (0.39) | KCNH2S1PR4S1PR1S1PR3 | |
| SCHEMBL24920902 | 0.84 | — | — | |
| SCHEMBL14371896 | 0.84 | KCNH2 (0.44) | KCNH2 | |
| SCHEMBL23119845 | 0.84 | KCNH2 (0.44) | KCNH2 | |
| SCHEMBL14671382 | 0.81 | — | — | |
| SCHEMBL13866433 | 0.81 | — | — | |
| SCHEMBL7058167 | 0.79 | KCNH2 (0.44) | KCNH2FUCA1S1PR4S1PR1S1PR3 | |
| SCHEMBL1142602 | 0.78 | KCNH2 (0.52) | KCNH2FUCA1 | |
| SCHEMBL25042763 | 0.78 | KCNH2 (0.52) | KCNH2FUCA1 | |
| SCHEMBL549384 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560967-B1 | Heterocyclic carboxylic acid amides as PDK1 inihibitors | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |