Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19938115 | 0.85 | SMN1; SMN2 (0.35) | ALDH1A1MAPTMAPK1HTTSMN1; SMN2 | |
| SCHEMBL19937629 | 0.84 | ALDH1A1 (0.34) | ALDH1A1MAPTMAPK1HTTSMN1; SMN2 | |
| SCHEMBL19937802 | 0.84 | ALDH1A1 (0.34) | ALDH1A1MAPTMAPK1HTTSMN1; SMN2 | |
| SCHEMBL20635675 | 0.76 | HDAC1 (0.36) | ALDH1A1MAPTMAPK1HTTSMN1; SMN2 | |
| SCHEMBL8256564 | 0.74 | GSK3B (0.39) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL15882765 | 0.71 | ENPP3 (0.44) | ALDH1A1MAPTHTTSMN1; SMN2ENPP3 | |
| SCHEMBL19937619 | 0.70 | HTT (0.37) | ALDH1A1MAPTMAPK1HTTSMN1; SMN2 | |
| SCHEMBL14884084 | 0.69 | HSD17B10 (0.43) | ALDH1A1MAPTMAPK1HTTSMN1; SMN2 | |
| SCHEMBL21014903 | 0.69 | NPC1 (0.31) | MAPTSMN1; SMN2 | |
| SCHEMBL21470789 | 0.68 | MGAM (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2945938-B1 | 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS | HOFFMANN LA ROCHE (CH) | 2018-03-07 | — | — | EP | disclosed |