Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 10/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.34 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | LTK | P29376 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18341116 | 0.85 | AHR (0.49) | AHRNUDT1CYP11B2KDM4E | |
| SCHEMBL22439076 | 0.80 | KDM4E (0.43) | L3MBTL1NUDT1PARP1CYP11B2AURKA | |
| SCHEMBL2730240 | 0.78 | NUDT1 (0.62) | L3MBTL1NUDT1PARP1MAP2K1CLK4 | |
| SCHEMBL19658956 | 0.76 | PARP1 (0.39) | L3MBTL1NUDT1PARP1PARP2PARP3 | |
| SCHEMBL19658973 | 0.76 | L3MBTL1 (0.36) | L3MBTL1NUDT1PARP1PARP2PARP3 | |
| SCHEMBL19659614 | 0.76 | KDM4E (0.43) | L3MBTL1PARP1KDM4EALDH1A1MAPK1 | |
| SCHEMBL23754204 | 0.76 | ADORA3 (0.49) | L3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL19658700 | 0.75 | NUDT1 (0.38) | NUDT1PARP1 | |
| SCHEMBL3303680 | 0.73 | JAK2 (0.49) | AHRAURKAPTK2ROCK1LRRK2 | |
| SCHEMBL23754239 | 0.73 | SMN1; SMN2 (0.46) | AHRKDM4EALDH1A1 |
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-111499630-A | Novel salts and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 加拉帕戈斯股份有限公司 | 2020-08-07 | — | — | CN | disclosed |