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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | PPARG | P37231 | 4/20 | 0.51 |
| ▸ | PPARA | Q07869 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
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 SCHEMBL6805517 | 0.91 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6716388 | 0.91 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6712853 | 0.86 | PPARG (0.51) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6718906 | 0.85 | NR1H4 (0.48) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6716299 | 0.85 | EPHX2 (0.58) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6713633 | 0.85 | EPHX2 (0.48) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6715969 | 0.85 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6716127 | 0.84 | NPC1 (0.46) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6716102 | 0.84 | EPHX2 (0.50) | NPC1RAB9AMEN1KMT2APPARG | |
| SCHEMBL6716351 | 0.84 | EPHX2 (0.48) | NPC1RAB9AMEN1KMT2APPARG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040006141-A1 | Amidocarboxylic acid compounds | SANKYO COMPANY, LTD (JP) | 2004-01-08 | — | — | US | disclosed |
| US-6528525-B1 | Amidocarboxylic acid derivatives | SANKYO COMPANY, LIMITED (JP) | 2003-03-04 | — | — | US | disclosed |
| EP-1026149-A1 | AMIDOCARBOXYLIC ACID DERIVATIVES | Sankyo Company Limited (JP) | 2000-08-09 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040006141-A1 | Amidocarboxylic acid compounds | NR1H2, AGK, APOL1 | NPC1 812/4885RAB9A 3140/4885MEN1 3916/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.