Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.59 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | PPID | Q08752 | 1/20 | 0.55 |
| ▸ | MC4R | P32245 | 2/20 | 0.52 |
| ▸ | MC3R | P41968 | 2/20 | 0.52 |
| ▸ | MC1R | Q01726 | 2/20 | 0.52 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SCD | O00767 | 2/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.48 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13370801 | 1.00 | EPHX2 (0.59) | EPHX2RIPK1ALDH1A1POLBPPID | |
| SCHEMBL2038120 | 1.00 | EPHX2 (0.59) | EPHX2RIPK1ALDH1A1POLBPPID | |
| SCHEMBL28005101 | 0.95 | ALDH1A1 (0.56) | EPHX2RIPK1ALDH1A1POLBPPID | |
| SCHEMBL25884649 | 0.85 | EPHX2 (0.63) | EPHX2RIPK1POLBPPIDHSP90AA1 | |
| SCHEMBL12964250 | 0.83 | RIPK1 (0.64) | EPHX2RIPK1PPIDHSP90AA1HSP90AB1 | |
| SCHEMBL1779437 | 0.83 | HDAC1 (0.53) | EPHX2PPID | |
| SCHEMBL8004499 | 0.83 | HDAC1 (0.53) | EPHX2PPID | |
| Hydrochloric Acid SCHEMBL27412469 | 0.82 | RIPK1 (0.62) | EPHX2RIPK1PPIDHSP90AA1HSP90AB1 | |
| SCHEMBL1780619 | 0.81 | GPR183 (0.47) | EPHX2RIPK1PPIDAADAT | |
| SCHEMBL24264808 | 0.81 | RIPK1 (0.61) | EPHX2RIPK1PPIDHSP90AA1HSP90AB1 |
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-110036009-A | Substituted pyrrolidines and their use in the treatment of cystic fibrosis | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |