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 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | OGG1 | O15527 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 SCHEMBL6943998 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP2D6SMN1; SMN2CYP1A2 | |
| SCHEMBL8108846 | 0.91 | CHRNA7 (0.47) | ALDH1A1MAPTCYP2D6SMN1; SMN2CYP1A2 | |
| SCHEMBL6945248 | 0.91 | CHRNA7 (0.47) | ALDH1A1MAPTCYP2D6SMN1; SMN2CYP1A2 | |
| Diethylamine SCHEMBL6941485 | 0.90 | CHRNA7 (0.38) | ALDH1A1MAPTCYP2D6SMN1; SMN2CYP1A2 | |
| Dimethylamine SCHEMBL6948503 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MAPTCYP2D6SMN1; SMN2CYP1A2 | |
| Diethylamine SCHEMBL6942229 | 0.88 | GNAI3 (0.39) | CHRNA7GAALMNA | |
| SCHEMBL6948722 | 0.88 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP2D6SMN1; SMN2CYP1A2 | |
| Diethylamine SCHEMBL8115362 | 0.85 | CYP2D6 (0.47) | ALDH1A1MAPTCYP2D6CHRNA7GAA | |
| Diethylamine SCHEMBL6946316 | 0.85 | CYP2D6 (0.47) | ALDH1A1MAPTCYP2D6CHRNA7GAA | |
| SCHEMBL6941217 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP2D6SMN1; SMN2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |