Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | NOS1 | P29475 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.49 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11196105 | 0.87 | NCF1 (0.83) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL2249512 | 0.79 | NCF1 (0.71) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL110388 | 0.79 | NCF1 (1.00) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL578335 | 0.79 | SMN1; SMN2 (0.70) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL807251 | 0.79 | NCF1 (0.66) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL23182936 | 0.79 | NCF1 (0.71) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL178443 | 0.79 | NCF1 (0.66) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL264786 | 0.79 | NCF1 (0.71) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL22711383 | 0.79 | NCF1 (0.71) | NCF1HTTALDH1A1KDM4EHPGD | |
| SCHEMBL15189005 | 0.79 | NCF1 (0.66) | NCF1HTTALDH1A1KDM4EHPGD |
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-2491039-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | Cellzome Limited (GB) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048082-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | CELLZOME LIMITED (GB) | 2011-04-28 | — | — | WO | disclosed |