Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | BCL6 | P41182 | 1/20 | 0.43 |
| ▸ | BCOR | Q6W2J9 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 9/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL23674943 | 1.00 | KIF11 (0.44) | KIF11BCL6BCORCA9AKR1B1 | |
| SCHEMBL8647059 | 0.86 | AHR (0.47) | BCL6BCORCA9AKR1B1TSHR | |
| SCHEMBL31726573 | 0.86 | AHR (0.47) | BCL6BCORCA9AKR1B1TSHR | |
| SCHEMBL1027734 | 0.81 | KIF11 (0.44) | KIF11CA9PKMCYP11B1CYP11B2 | |
| SCHEMBL21646065 | 0.81 | KIF11 (0.44) | KIF11CA9PKMCYP11B1CYP11B2 | |
| SCHEMBL30806271 | 0.81 | KIF11 (0.44) | KIF11CA9PKMCYP11B1CYP11B2 | |
| SCHEMBL25387325 | 0.81 | CYP11B1 (0.47) | KIF11BCL6BCORCA9CYP11B1 | |
| SCHEMBL20594837 | 0.81 | MAPT (0.55) | KIF11BCL6BCORCA9PKM | |
| SCHEMBL30100755 | 0.81 | KIF11 (0.44) | KIF11CA9PKMCYP11B1CYP11B2 | |
| SCHEMBL29502470 | 0.81 | MAPT (0.55) | KIF11BCL6BCORCA9PKM |
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-4093400-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | The Trustees of Princeton University (US) | 2022-11-30 | — | — | EP | disclosed |