Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | PRKCG | P05129 | 1/20 | 0.31 |
| ▸ | PRKCB | P05771 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.31 |
| ▸ | PRKCH | P24723 | 1/20 | 0.31 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.31 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL14940865 | 1.00 | PDK1 (0.47) | PDK1ADORA2AADORA1AKT1ALOX5AP | |
| SCHEMBL27731539 | 0.81 | PDK1 (0.34) | PDK1 | |
| SCHEMBL29221314 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL22732907 | 0.81 | CHEK1 (0.35) | PRKCGPRKCBPRKCAPRKCHPRKCZ | |
| SCHEMBL29221316 | 0.81 | AKT1 (0.31) | AKT1 | |
| SCHEMBL29221312 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL3403132 | 0.81 | CHEK1 (0.35) | PRKCGPRKCBPRKCAPRKCHPRKCZ | |
| SCHEMBL29221319 | 0.81 | AKT1 (0.31) | AKT1 | |
| SCHEMBL9779313 | 0.81 | KDM4E (0.31) | PDK1 | |
| SCHEMBL27731603 | 0.81 | — | — |
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-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |