Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.50 |
| ▸ | APLNR | P35414 | 2/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | TSPO | P30536 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15471256 | 0.86 | PYCR1 (0.51) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL11791442 | 0.81 | PYCR1 (0.47) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL10049173 | 0.78 | AOC3 (0.66) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL385286 | 0.77 | HRH3 (0.58) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL4611890 | 0.77 | PYCR1 (0.69) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL19302284 | 0.76 | PYCR1 (0.53) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL12049800 | 0.74 | APLNR (0.59) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL5270803 | 0.74 | APLNR (0.59) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL20871882 | 0.74 | PYCR1 (0.47) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR | |
| SCHEMBL21288902 | 0.74 | APLNR (0.43) | SMN1; SMN2ALDH1A1HTTPYCR1APLNR |
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-3145929-A1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-03-29 | — | — | EP | disclosed |
| WO-2015177326-A1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-26 | — | — | WO | disclosed |