Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2125933 | 0.88 | GAA (0.50) | POLBL3MBTL1MAPTNPSR1GAA | |
| SCHEMBL29885672 | 0.88 | NPC1 (0.56) | PRKDCPOLBL3MBTL1LCKFYN | |
| SCHEMBL263749 | 0.88 | NPC1 (0.56) | PRKDCPOLBL3MBTL1LCKFYN | |
| SCHEMBL28788044 | 0.88 | HTR2A (0.47) | POLBL3MBTL1MAPTNPSR1TAAR1 | |
| SCHEMBL21823613 | 0.86 | ENPP1 (0.47) | PRKDCMAPTGAACYP3A4 | |
| SCHEMBL31096289 | 0.86 | ENPP1 (0.47) | PRKDCMAPTGAACYP3A4 | |
| SCHEMBL21823665 | 0.84 | PRKDC (0.50) | PRKDCPOLBL3MBTL1LCKFYN | |
| SCHEMBL2567613 | 0.84 | PRKDC (0.38) | PRKDCPOLBL3MBTL1LCKFYN | |
| SCHEMBL19404754 | 0.84 | NQO2 (0.44) | PRKDCPOLBL3MBTL1LCKFYN | |
| SCHEMBL16384984 | 0.84 | NQO2 (0.41) | PRKDCPOLBL3MBTL1MAPTNPSR1 |
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-112573978-B | High-efficiency halogenation synthesis method of aryl halide | 北京大学 | 2022-05-13 | — | — | CN | disclosed |