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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14376843 | 0.79 | CHRM2 (0.63) | TDP1CHRM2MEN1CHRM4CHRM5 | |
| SCHEMBL31103 | 0.78 | — | — | |
| Diethylamine SCHEMBL11438213 | 0.76 | HPGD (0.49) | TP53MEN1KMT2APOLBMAPT | |
| Dimethylamine SCHEMBL3189287 | 0.76 | TDP1 (0.79) | TDP1CHRM2MEN1CHRM4CHRM5 | |
| Ammonia Solution, Strong SCHEMBL3583090 | 0.75 | — | — | |
| P-Xylene SCHEMBL28771255 | 0.73 | ACHE (0.53) | TDP1TP53CHRM2POLBMAPT | |
| SCHEMBL29020618 | 0.72 | — | — | |
| Diethylamine SCHEMBL8630460 | 0.70 | TP53 (0.68) | TDP1TP53CHRM2MEN1KMT2A | |
| Diethylamine SCHEMBL6700983 | 0.69 | TP53 (0.57) | TP53MEN1KMT2AMAPTHPGD | |
| P-Xylene SCHEMBL16684588 | 0.69 | TDP1 (0.79) | TDP1CHRM2MEN1CHRM4CHRM5 |
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-0755671-B1 | DERMATOLOGIC PREPARATION | KAO CORP (JP) | 1998-07-08 | — | — | EP | disclosed |
| EP-0755671-A1 | DERMATOLOGIC PREPARATION | Kao Corporation (JP) | 1997-01-29 | — | — | EP | disclosed |