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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 3/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28313260 | 0.92 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| Methylamine SCHEMBL28314032 | 0.89 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL27597859 | 0.80 | HSD17B1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL28198407 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL30716530 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDMAPTPGK1 | |
| SCHEMBL2322922 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDMAPTPGK1 | |
| SCHEMBL28820795 | 0.71 | TNFSF11 (0.49) | ALDH1A1KDM4EHPGDMAPTMEN1 | |
| SCHEMBL22505683 | 0.71 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL23797347 | 0.71 | AMY1A (0.43) | ALDH1A1KDM4EPGK1 | |
| SCHEMBL28314031 | 0.70 | PDGFRB (0.57) | ALDH1A1KDM4EHPGDHSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-110049969-A | Quinolines, preparation method and its medical usage | 恩瑞生物医药科技（上海）有限公司 | 2019-07-23 | — | — | CN | disclosed |