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 | |
|---|---|---|---|---|
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.58 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TGM2 | P21980 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL2502248 | 0.89 | ACHE (0.46) | ZDHHC20ZDHHC2ACHEEPHX2TSHR | |
| Diethylamine SCHEMBL2505686 | 0.89 | ZDHHC20 (0.72) | ZDHHC20ZDHHC2GAAACHETSHR | |
| SCHEMBL28083469 | 0.88 | ZDHHC20 (0.58) | ZDHHC20ZDHHC2GAAACHEEPHX2 | |
| SCHEMBL3467185 | 0.88 | ZDHHC20 (0.77) | ZDHHC20ZDHHC2EPHX2TGM2EPHX1 | |
| SCHEMBL3467554 | 0.88 | ZDHHC20 (0.77) | ZDHHC20ZDHHC2EPHX2TGM2EPHX1 | |
| Diethylamine SCHEMBL7805717 | 0.85 | EPHX1 (0.44) | ZDHHC20ZDHHC2ACHEEPHX2TSHR | |
| SCHEMBL10386869 | 0.85 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2GAATSHRTGM2 | |
| SCHEMBL28126934 | 0.84 | ZDHHC20 (0.50) | ZDHHC20ZDHHC2ACHEEPHX2TSHR | |
| SCHEMBL7632875 | 0.83 | ZDHHC20 (0.45) | ZDHHC20ZDHHC2GAATSHRTGM2 | |
| Acrylic Acid SCHEMBL28107076 | 0.82 | ZDHHC20 (0.49) | ZDHHC20ZDHHC2ACHEEPHX2EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20020120086-A1 | Quaternary polymers with functional amine groups field of the invention | BAYER AKTIENGESELLSCHAFT (DE) | 2002-08-29 | — | — | US | disclosed |