Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | ITK | Q08881 | 6/20 | 0.43 |
| ▸ | AURKA | O14965 | 5/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | SCN1A | P35498 | 2/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15564175 | 1.00 | HTR2A (0.46) | HTR2AHRH1ITKAURKALCK | |
| SCHEMBL15564642 | 0.87 | ITK (0.41) | HTR2AHRH1ITKAURKALCK | |
| SCHEMBL15565792 | 0.86 | SLC6A2 (0.40) | HTR2AHRH1ITKAURKASLC6A2 | |
| SCHEMBL15564895 | 0.86 | ITK (0.47) | HTR2AHRH1ITKAURKALCK | |
| SCHEMBL15565480 | 0.86 | HTR2A (0.43) | HTR2AHRH1ITKAURKALCK | |
| SCHEMBL15566084 | 0.85 | ITK (0.47) | HTR2AHRH1ITKAURKALCK | |
| Hydrochloric Acid SCHEMBL17822228 | 0.84 | TDP1 (0.45) | HTR2AHRH1ITKAURKASLC6A2 | |
| SCHEMBL16786480 | 0.84 | OPRM1 (0.42) | ITKAURKALCKSLC6A2OPRM1 | |
| SCHEMBL15565031 | 0.82 | PNMT (0.40) | ITKAURKASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15564176 | 0.82 | KAT2B (0.35) | ITKAURKALCKSLC6A2SLC6A4 |
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 |