Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL931009 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HPGDPTGDR2KDM4EPOLB | |
| SCHEMBL17271610 | 0.89 | ALDH1A1 (0.47) | ALDH1A1HPGDPTGDR2KDM4EPOLB | |
| SCHEMBL930659 | 0.87 | ALDH1A1 (0.54) | ALDH1A1HPGDPTGDR2KDM4EPOLB | |
| SCHEMBL22878485 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HPGDPTGDR2KDM4EPOLB | |
| SCHEMBL931090 | 0.84 | CDC7 (0.52) | ALDH1A1HPGDPTGDR2KDM4EPOLB | |
| SCHEMBL7051373 | 0.81 | PTGDR2 (0.49) | ALDH1A1HPGDPTGDR2KDM4ENPC1 | |
| SCHEMBL952934 | 0.80 | CDC7 (0.50) | ALDH1A1KDM4ENPC1MAPTTSHR | |
| SCHEMBL29488745 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4ENPC1TSHR | |
| SCHEMBL929779 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4ENPC1TSHR | |
| SCHEMBL19560244 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HPGDPTGDR2KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109970743-B | 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors | 豪夫迈·罗氏有限公司 | 2022-03-04 | — | — | CN | disclosed |