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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL162969 | 0.89 | MIF (0.58) | MIFAPPBACE1ESR1ESR2 | |
| SCHEMBL31609339 | 0.89 | MIF (0.58) | MIFAPPBACE1ESR1ESR2 | |
| SCHEMBL162970 | 0.89 | MIF (0.58) | MIFAPPBACE1ESR1ESR2 | |
| SCHEMBL6010545 | 0.78 | MIF (0.56) | MIFBACE1ALDH1A1ESR1KDM4E | |
| SCHEMBL7608324 | 0.77 | CA12 (0.55) | MIFAPPALDH1A1ESR1KDM4E | |
| SCHEMBL14111461 | 0.77 | CA12 (0.55) | MIFAPPALDH1A1ESR1KDM4E | |
| Diethylamine SCHEMBL9635852 | 0.76 | ESR1 (0.46) | MIFALDH1A1ESR1KDM4EGAA | |
| SCHEMBL1791516 | 0.76 | CYP3A4 (0.46) | MIFALDH1A1ESR1KDM4EGAA | |
| SCHEMBL1791265 | 0.76 | CYP3A4 (0.46) | MIFALDH1A1ESR1KDM4EGAA | |
| SCHEMBL1792590 | 0.74 | MAPT (0.47) | MIFALDH1A1ESR1KDM4EGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011019882-A1 | NANOSTRUCTURE-BETA-BLOCKER CONJUGATES | WILLIAM MARSH RICE UNIVERSITY (US) | 2011-02-17 | — | — | WO | disclosed |