Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL457126 | 0.81 | ALDH1A1 (0.51) | LMNAALDH1A1CAPN9CASP3MAPT | |
| SCHEMBL455445 | 0.80 | ALDH1A1 (0.42) | LMNAALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL457611 | 0.77 | ALDH1A1 (0.47) | LMNAALDH1A1CAPN9CASP3MAPT | |
| SCHEMBL455908 | 0.76 | RRM1 (0.44) | LMNAALDH1A1CAPN9CASP3MAPT | |
| SCHEMBL455700 | 0.72 | ALDH1A1 (0.47) | LMNAALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL469858 | 0.68 | CA1 (0.54) | LMNAALDH1A1CAPN9CASP3MAPT | |
| SCHEMBL469972 | 0.67 | TDP1 (0.43) | LMNAALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL469856 | 0.67 | ALDH1A1 (0.51) | LMNAALDH1A1CAPN9CASP3MAPT | |
| 5-Nitroisatin SCHEMBL455170 | 0.65 | CAPN9 (1.00) | ALDH1A1CAPN9CASP3MEN1KMT2A | |
| 5-Nitroisatin SCHEMBL29497975 | 0.65 | CAPN9 (1.00) | ALDH1A1CAPN9CASP3MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012033601-A1 | THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2012-03-15 | — | — | WO | disclosed |
| EP-2240175-A2 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009102433-A2 | COMPOUNDS WITH MDR1-INVERSE ACTIVITY | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2009-08-20 | — | — | WO | disclosed |