Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 3/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | MARK3 | P27448 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | FER | P16591 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 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 | |
|---|---|---|---|---|
| SCHEMBL16797332 | 0.85 | LMNA (0.44) | LMNAGSK3BMAPK14MARK3CDK2 | |
| SCHEMBL16797390 | 0.82 | ALDH1A1 (0.42) | LMNAMARK3ALDH1A1CYP2A6TP53 | |
| SCHEMBL16797383 | 0.79 | TP53 (0.44) | LMNAMARK3ALDH1A1CYP2A6TP53 | |
| Acetic Acid SCHEMBL7039265 | 0.67 | ALDH1A1 (0.73) | GSK3BALDH1A1CYP2A6TP53 | |
| SCHEMBL6179313 | 0.66 | MAPK14 (0.81) | LMNAMAPK14ROCK1 | |
| Water SCHEMBL28512959 | 0.65 | CYP2A6 (0.84) | ALDH1A1CYP2A6 | |
| SCHEMBL91813 | 0.65 | CYP2A6 (0.84) | ALDH1A1CYP2A6 | |
| SCHEMBL12377032 | 0.65 | CYP2A6 (0.84) | ALDH1A1CYP2A6 | |
| SCHEMBL29998816 | 0.65 | KDM1A (0.43) | MAPK14ALDH1A1CYP2A6 | |
| SCHEMBL11054936 | 0.64 | MAPT (0.69) | LMNAALDH1A1CYP2A6 |
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-3080100-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Celgene Quanticel Research, Inc. (US) | 2016-10-19 | — | — | EP | disclosed |
| WO-2015089192-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Quanticel Pharmaceuticals, Inc. (US) | 2015-06-18 | — | — | WO | disclosed |