Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28348109 | 1.00 | NPC1 (0.41) | NPC1POLBPTK2BALDH1A1F2 | |
| SCHEMBL28348108 | 1.00 | NPC1 (0.41) | NPC1POLBPTK2BALDH1A1F2 | |
| SCHEMBL28348682 | 1.00 | NPC1 (0.41) | NPC1POLBPTK2BALDH1A1F2 | |
| SCHEMBL24838711 | 0.98 | L3MBTL1 (0.38) | NPC1POLBPTK2BALDH1A1F2 | |
| SCHEMBL30178764 | 0.98 | L3MBTL1 (0.38) | NPC1POLBPTK2BALDH1A1F2 | |
| SCHEMBL23869372 | 0.92 | KDM4E (0.39) | NPC1POLBPTK2BALDH1A1L3MBTL1 | |
| SCHEMBL22005008 | 0.90 | NPC1 (0.47) | NPC1POLBPTK2BALDH1A1F2 | |
| SCHEMBL22005040 | 0.88 | KDM4E (0.44) | NPC1POLBPTK2BALDH1A1L3MBTL1 | |
| SCHEMBL23630245 | 0.86 | KDM4E (0.40) | NPC1PTK2BALDH1A1L3MBTL1TDP1 | |
| SCHEMBL30291428 | 0.86 | KDM4E (0.40) | NPC1PTK2BALDH1A1L3MBTL1TDP1 |
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-110563619-B | Aryl alkyl sulfone compound and reduction coupling method for constructing sulfone compound | 华东师范大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-110563619-A | Aryl alkyl sulfone compound and reduction coupling method for constructing sulfone compound | 华东师范大学 | 2019-12-13 | — | — | CN | disclosed |