Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.47 |
| ▸ | BCHE | P06276 | 5/20 | 0.47 |
| ▸ | ACHE | P22303 | 5/20 | 0.47 |
| ▸ | ELANE | P08246 | 2/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | MERTK | Q12866 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9728588 | 0.76 | KDM4E (0.61) | KDM4EALDH1A1L3MBTL1 | |
| Diethylamine SCHEMBL6366261 | 0.75 | APP (0.45) | APPBCHEACHEELANESLC2A1 | |
| SCHEMBL9616705 | 0.74 | TOP2A (0.56) | BCHEACHESLC2A1KDM4EKMT2A | |
| SCHEMBL7683833 | 0.70 | FDPS (0.56) | APPBCHEACHEELANESLC2A1 | |
| SCHEMBL12058552 | 0.70 | ELANE (0.39) | BCHEACHEELANEKDM4EALDH1A1 | |
| SCHEMBL11916305 | 0.69 | NUDT1 (0.48) | APPBCHEACHEELANEKDM4E | |
| SCHEMBL13367213 | 0.69 | HDAC1 (0.39) | ELANE | |
| Diethylamine SCHEMBL6912702 | 0.69 | ELANE (0.35) | APPBCHEACHEELANEPDE5A | |
| SCHEMBL24038281 | 0.68 | APP (0.70) | APPBCHEACHEKMT2A | |
| SCHEMBL4774950 | 0.68 | MERTK (0.44) | APPBCHEACHESLC2A1MERTK |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017075052-A1 | USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES | DELMAR PHARMACEUTICALS, INC. (CA) | 2017-05-04 | — | — | WO | disclosed |
| WO-2017042634-A2 | USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE | DEL MAR PHARMACEUTICALS (CA) | 2017-03-16 | — | — | WO | disclosed |
| EP-2983674-A1 | THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS | Brown, Dennis M. (US) | 2016-02-17 | — | — | EP | disclosed |
| EP-2872161-A2 | METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF | Del Mar Pharmaceuticals (CA) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014168986-A1 | THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS | BROWN DENNIS M (US) | 2014-10-16 | — | — | WO | disclosed |
| WO-2014004376-A2 | METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF | DEL MAR PHARMACEUTICALS (CA) | 2014-01-03 | — | — | WO | disclosed |
| EP-0478545-A4 | 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS | STANFORD RES INST INT (US) | 1992-08-05 | — | — | EP | disclosed |
| EP-0478545-A1 | 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS | SRI INTERNATIONAL (US) | 1992-04-08 | — | — | EP | disclosed |
| WO-1991004028-A1 | 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS | SRI INTERNATIONAL (US) | 1991-04-04 | — | — | WO | disclosed |