Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 9/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 5/20 | 0.37 |
| ▸ | MTOR | P42345 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2776064 | 0.79 | GAA (0.53) | GAAALDH1A1KDM4EHPGDGLA | |
| SCHEMBL2949856 | 0.74 | DHFR (0.33) | — | |
| SCHEMBL2950064 | 0.73 | HRH3 (0.36) | — | |
| SCHEMBL17352600 | 0.71 | KDM4E (0.38) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL2954548 | 0.70 | KDM4E (0.40) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL2953203 | 0.69 | PDE8B (0.34) | — | |
| SCHEMBL30677407 | 0.69 | GAA (0.47) | GAAALDH1A1KDM4EHPGDGLA | |
| SCHEMBL15941616 | 0.68 | MAPT (0.33) | ALDH1A1KDM4EHPGD | |
| SCHEMBL8607492 | 0.67 | KDM4E (0.57) | GAAALDH1A1KDM4EHPGDGLA | |
| SCHEMBL17822227 | 0.66 | FLT3 (0.56) | GAAALDH1A1KDM4EHPGDGLA |
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-2016091916-A1 | PYRAZOLYLAMINOPURINES AS ITK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-16 | — | — | WO | disclosed |