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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 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 SCHEMBL6271332 | 0.85 | ESR1 (0.45) | ESR1TSHRADRB2ACHEADRA2A | |
| Diethylamine SCHEMBL6365629 | 0.85 | ESR1 (0.45) | ESR1TSHRADRB2ACHEADRA2A | |
| SCHEMBL146510 | 0.84 | ESR1 (0.56) | ESR1TSHRACHEADRA2AADRA2B | |
| Diethylamine SCHEMBL10603809 | 0.84 | ESR1 (0.41) | ESR1TSHRADRB2ACHEADRA2A | |
| Diethylamine SCHEMBL237985 | 0.83 | ESR1 (0.43) | ESR1TSHRADRB2ACHEADRA2A | |
| Diethylamine SCHEMBL7116499 | 0.82 | ESR1 (0.42) | ESR1TSHRADRB2ACHEADRA2A | |
| Diethylamine SCHEMBL10780343 | 0.82 | ESR1 (0.42) | ESR1TSHRADRB2ACHEADRA2A | |
| Diethylamine SCHEMBL8172450 | 0.82 | ESR1 (0.42) | ESR1TSHRADRB2ACHEADRA2A | |
| SCHEMBL22652558 | 0.80 | ESR1 (0.41) | ESR1TSHRADRB2ACHESIGMAR1 | |
| Diethylamine SCHEMBL11318959 | 0.80 | ESR1 (0.41) | ESR1TSHRADRB2ACHEADRA2A |
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-6017665-A | CHARGE GENERATION LAYER COATED ONTO A SUBSTRATE FROM A COATING SOLUTION CONTAINING BINDER, CHARGE GENERATING MATERIAL, AND AN ORGANOSILANE COMPOUND; ADHESION, DURABILITY | MITSUBISHI CHEMICAL AMERICA (US) | 2000-01-25 | — | — | US | disclosed |