Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1782525 | 0.68 | ALDH1A1 (0.45) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL967912 | 0.67 | ALDH1A1 (0.44) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL5541877 | 0.65 | ALDH1A1 (0.37) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL12402334 | 0.64 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL10136903 | 0.64 | ALDH1A1 (0.57) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL5536419 | 0.61 | ALDH1A1 (0.37) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL12402363 | 0.61 | ALDH1A1 (0.41) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL2267386 | 0.61 | KDM4E (0.46) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL5535789 | 0.61 | NOTUM (0.40) | ALDH1A1KDM4ELMNAMEN1GAA | |
| SCHEMBL31201062 | 0.61 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNAMEN1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3478677-A1 | 1 H-PYRAZOL-1 -YL-THIAZOLES AS INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF | The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) | 2019-05-08 | — | — | EP | disclosed |
| WO-2018005807-A1 | 1 H-PYRAZOL-1 -YL-THIAZOLES AS INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2018-01-04 | — | — | WO | disclosed |
| EP-3240785-A2 | SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF | The United States of America, as represented by The Secretary, Department of Health and Human Services (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2016109559-A2 | SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2016-07-07 | — | — | WO | disclosed |