Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3083610 | 0.75 | HTR2C (0.42) | — | |
| SCHEMBL29384288 | 0.75 | HTR2C (0.43) | GAA | |
| SCHEMBL13610515 | 0.75 | KDM1A (0.44) | GAA | |
| SCHEMBL1374931 | 0.75 | MEN1 (0.43) | GAASMN1; SMN2 | |
| SCHEMBL1043098 | 0.75 | HTR2C (0.43) | GAA | |
| SCHEMBL3727526 | 0.74 | TSHR (0.36) | SMN1; SMN2CHRNB4CHRNA3 | |
| SCHEMBL11030273 | 0.73 | HTR2C (0.42) | GAA | |
| SCHEMBL5329929 | 0.72 | KDM1A (0.47) | SMN1; SMN2 | |
| SCHEMBL1141878 | 0.71 | — | — | |
| SCHEMBL11937219 | 0.71 | ALDH1A1 (0.36) | GAASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2238111-A1 | 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) | Janssen Pharmaceutica NV (BE) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009097278-A1 | 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-08-06 | — | — | WO | disclosed |