Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | AGPAT2 | O15120 | 13/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | PRNP | P04156 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL929779 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4ERECQLAGPAT2NPC1 | |
| SCHEMBL931552 | 0.86 | ALDH1A1 (0.55) | ALDH1A1KDM4ERECQLAGPAT2MEN1 | |
| SCHEMBL17271586 | 0.82 | JAK2 (0.39) | ALDH1A1KDM4EAGPAT2TSHRSMN1; SMN2 | |
| SCHEMBL19560244 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KDM4ERECQLAGPAT2NPC1 | |
| SCHEMBL17271610 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4ERECQLAGPAT2NPC1 | |
| SCHEMBL930488 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4ERECQLAGPAT2MEN1 | |
| SCHEMBL29488763 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KDM4ENPC1TSHRSTAT3 | |
| SCHEMBL931009 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KDM4ENPC1TSHRSTAT3 | |
| SCHEMBL17271571 | 0.78 | MGAM (0.45) | ALDH1A1KDM4EAGPAT2NPC1TSHR | |
| SCHEMBL930315 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4ERECQLAGPAT2NPC1 |
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 |