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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 2/20 | 0.30 |
| ▸ | ACHE | P22303 | 2/20 | 0.30 |
| ▸ | AHR | P35869 | 2/20 | 0.30 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL164132 | 0.81 | CYP1A2 (0.52) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| SCHEMBL30892865 | 0.81 | CYP1A2 (0.52) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| SCHEMBL30361382 | 0.81 | CYP1A2 (0.52) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| SCHEMBL27939068 | 0.81 | CYP1A2 (0.52) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| SCHEMBL29726949 | 0.69 | CYP1A2 (0.64) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| SCHEMBL460085 | 0.69 | CYP1A2 (0.64) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| Anthracene SCHEMBL22129833 | 0.69 | CYP2A6 (0.46) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL9699573 | 0.68 | CYP1A2 (0.61) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| SCHEMBL686340 | 0.68 | CYP1A2 (0.61) | CYP1A2TSHRCYP2A6ALDH1A1HPGD | |
| SCHEMBL28539710 | 0.68 | CYP1A2 (0.61) | CYP1A2TSHRCYP2A6ALDH1A1HPGD |
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-1368499-A2 | RAT TOXICOLOGICALLY RELEVANT GENES AND USES THEREOF | Phase-1 Molecular Toxicology Inc. (US) | 2003-12-10 | — | — | EP | claimed |
| WO-2002066682-A2 | RAT TOXICOLOGICALLY RELEVANT GENES AND USES THEREOF | PHASE-1 MOLECULAR TOXICOLOGY, INC. (US) | 2002-08-29 | — | — | WO | claimed |