Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mitotane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 4/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 4/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 1.00 |
| ▸ | CNR1 | P21554 | 4/20 | 1.00 |
| ▸ | LMNA | P02545 | 3/20 | 1.00 |
| ▸ | ATM | Q13315 | 2/20 | 1.00 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | NR1I2 | O75469 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | ADRA2A | P08913 | 1/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Mitotane SCHEMBL4040 | 1.00 | TSHR (1.00) | TSHRHIF1AMAPK1TDP1CNR1 | |
| Mitotane SCHEMBL29360948 | 1.00 | TSHR (1.00) | TSHRHIF1AMAPK1TDP1CNR1 | |
| Mitotane SCHEMBL4041 | 1.00 | TSHR (1.00) | TSHRHIF1AMAPK1TDP1CNR1 | |
| Mitotane SCHEMBL8937953 | 0.88 | CNR1 (0.78) | TSHRHIF1AMAPK1TDP1CNR1 | |
| Mitotane SCHEMBL8465001 | 0.87 | CNR1 (0.76) | TSHRHIF1AMAPK1TDP1CNR1 | |
| SCHEMBL29502468 | 0.85 | TSHR (0.73) | TSHRHIF1AMAPK1TDP1CNR1 | |
| SCHEMBL9130061 | 0.83 | TSHR (0.69) | TSHRHIF1AMAPK1TDP1CNR1 | |
| SCHEMBL7873189 | 0.79 | TSHR (0.66) | TSHRHIF1AMAPK1TDP1CNR1 | |
| Diethylstilbestrol SCHEMBL534253 | 0.79 | TSHR (0.62) | TSHRHIF1AMAPK1TDP1CNR1 | |
| SCHEMBL2937089 | 0.79 | TSHR (0.81) | TSHRHIF1AMAPK1TDP1CNR1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3534905-A1 | SMALL MOLECULE DUAL INHIBITORS OF EGFR/PI3K AND USES THEREOF | The Regents of The University of Michigan (US) | 2019-09-11 | — | — | EP | disclosed |
| WO-2018081719-A1 | SMALL MOLECULE INHIBITORS OF NEK2 AND USES THEREOF | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2018-05-03 | — | — | WO | disclosed |
| EP-3285583-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | The Regents of The University of Michigan (US) | 2018-02-28 | — | — | EP | disclosed |
| WO-2017165663-A1 | BIOMARKERS FOR CANCER ASSOCIATED WITH HEDGEHOG PATHWAY ACTIVITY AND RELATED USES THEREOF | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2017-09-28 | — | — | WO | disclosed |
| WO-2016172218-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2016-10-27 | — | — | WO | disclosed |
| EP-2970965-A2 | DNAI FOR THE MODULATION OF GENES | Pronai Therapeutics, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| EP-2911748-A1 | CANCER STEM CELL VACCINATION AND TREATMENT | The Regents Of The University Of Michigan (US) | 2015-09-02 | — | — | EP | disclosed |
| EP-2831067-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | The Regents Of The University Of Michigan (US) | 2015-02-04 | — | — | EP | disclosed |
| WO-2014144942-A2 | DNAI FOR THE MODULATION OF GENES | PRONAI THERAPEUTICS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |
| WO-2014134038-A1 | COMPOSITIONS AND METHODS RELATING TO INDUCTION OF INTESTINAL STEM CELL HOMEOGENESIS AND/OR REGENERATION | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2014-09-04 | — | — | WO | disclosed |
| WO-2014066615-A1 | CANCER STEM CELL VACCINATION AND TREATMENT | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2014-05-01 | — | — | WO | disclosed |
| WO-2014047232-A2 | C-REL INHIBITORS AND USES THEREOF | CORNELL UNIVERSITY (US) | 2014-03-27 | — | — | WO | disclosed |
| WO-2013149124-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2013-10-03 | — | — | WO | disclosed |
| WO-2013119923-A1 | DIFFERENT STATES OF CANCER STEM CELLS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2013-08-15 | — | — | WO | disclosed |
| EP-2536431-A2 | COMPOSITIONS AND METHODS FOR INHIBITING MMSET | The Regents of The University of Michigan (US) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011103028-A2 | COMPOSITIONS AND METHODS FOR INHIBITING MMSET | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2011-08-25 | — | — | WO | disclosed |