Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28426712 | 0.95 | ALDH1A1 (0.51) | ALDH1A1PDK2L3MBTL1NPC1KMT2A | |
| SCHEMBL28972159 | 0.85 | PDK2 (0.43) | ALDH1A1PDK2L3MBTL1NPC1KMT2A | |
| SCHEMBL27995348 | 0.82 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1KMT2ANPSR1 | |
| SCHEMBL10721062 | 0.81 | KMT2A (0.60) | ALDH1A1PDK2L3MBTL1NPC1KMT2A | |
| SCHEMBL28972225 | 0.80 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL18767537 | 0.79 | ALDH1A1 (0.57) | ALDH1A1PDK2L3MBTL1NPC1KMT2A | |
| SCHEMBL6172949 | 0.79 | NPC1 (0.53) | ALDH1A1PDK2L3MBTL1NPC1KMT2A | |
| SCHEMBL28514213 | 0.79 | ALDH1A1 (0.55) | ALDH1A1PDK2L3MBTL1NPC1KMT2A | |
| SCHEMBL24435015 | 0.79 | KMT2A (0.59) | ALDH1A1PDK2NPC1KMT2A | |
| SCHEMBL1762519 | 0.79 | KMT2A (0.59) | ALDH1A1PDK2NPC1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111410812-B | Preparation method of spiral polyphenylacetylene/silicon-based hybrid porous material | 哈尔滨工程大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-111410812-A | Preparation method of novel spiral polyphenylacetylene/silicon-based hybrid porous material | 哈尔滨工程大学 | 2020-07-14 | — | — | CN | disclosed |