Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.54 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.54 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.54 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29663213 | 1.00 | PDK1 (0.54) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL28320901 | 0.89 | XIAP (0.56) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL21776847 | 0.87 | NOTUM (0.65) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL5682339 | 0.87 | SRD5A1 (0.56) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL912513 | 0.82 | HPGD (0.61) | PDK1PDK2PDK3PDK4TP53 | |
| SCHEMBL28322046 | 0.82 | PDK1 (0.51) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL846218 | 0.81 | HDAC1 (0.53) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL21792031 | 0.81 | KDM4E (0.56) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL15557207 | 0.80 | CNR2 (0.65) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL12900265 | 0.79 | SRD5A1 (0.54) | PDK1PDK2PDK3PDK4SRD5A1 |
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-110357876-A | Azabicyclo-octane analog derivative and its preparation method and application | 浙江海正药业股份有限公司 | 2019-10-22 | — | — | CN | disclosed |