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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 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 | |
|---|---|---|---|---|
| SCHEMBL936162 | 0.92 | EPHX1 (0.43) | EPHX1TDP1MAOAMAOBTSHR | |
| SCHEMBL11098214 | 0.78 | EPHX1 (0.48) | EPHX1TSHRCNR2ALDH1A1CA12 | |
| SCHEMBL28353159 | 0.77 | EPHX1 (0.52) | EPHX1CNR2CA12CA9CASP2 | |
| SCHEMBL29226170 | 0.77 | EPHX1 (0.52) | EPHX1CNR2CA12CA9CASP2 | |
| SCHEMBL28356569 | 0.77 | EPHX1 (0.52) | EPHX1CNR2CA12CA9CASP2 | |
| SCHEMBL29285179 | 0.76 | TDP1 (0.36) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL14644951 | 0.73 | EPHX1 (0.53) | EPHX1CNR2CA12CA9CASP2 | |
| SCHEMBL28946006 | 0.73 | ALDH1A1 (0.44) | TDP1ALDH1A1CTSKMEN1KMT2A | |
| SCHEMBL28467539 | 0.72 | ACHE (0.45) | EPHX1CNR2CA12 | |
| SCHEMBL5824005 | 0.71 | CNR2 (0.49) | EPHX1TSHRCNR2ALDH1A1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003028762-A1 | NOVEL ANTIMICROBIAL RESISTANCE BLOCKING COMPOSITIONS | ETHICON, INC. (US) | 2003-04-10 | — | — | WO | disclosed |