Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1442764 | 0.94 | SMN1; SMN2 (0.49) | SMN1; SMN2HRH4NPC1RAB9AALDH1A1 | |
| SCHEMBL29414460 | 0.94 | SMN1; SMN2 (0.49) | SMN1; SMN2HRH4NPC1RAB9AALDH1A1 | |
| SCHEMBL13503311 | 0.82 | HRH4 (0.51) | SMN1; SMN2HRH4NPC1RAB9AALDH1A1 | |
| SCHEMBL9980590 | 0.82 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL21865082 | 0.82 | GAA (0.59) | SMN1; SMN2HRH4NPC1RAB9AALDH1A1 | |
| SCHEMBL3559638 | 0.82 | MAPT (0.51) | SMN1; SMN2HRH4NPC1RAB9AALDH1A1 | |
| SCHEMBL29142657 | 0.80 | IRAK4 (0.44) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL21588490 | 0.80 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL24830044 | 0.80 | NPC1 (0.71) | SMN1; SMN2HRH4NPC1RAB9AALDH1A1 | |
| SCHEMBL31184229 | 0.80 | NPC1 (0.71) | SMN1; SMN2HRH4NPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |