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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29954937 | 0.89 | CCR1 (0.35) | NOS2NOS3ALDH1A1LMNANPSR1 | |
| SCHEMBL17837436 | 0.89 | CCR1 (0.35) | NOS2NOS3ALDH1A1LMNANPSR1 | |
| Diethylamine SCHEMBL1212231 | 0.81 | KDM4E (0.32) | NOS2ALDH1A1 | |
| SCHEMBL29162822 | 0.72 | SMN1; SMN2 (0.43) | NOS2NOS3CYP3A4ALDH1A1LMNA | |
| SCHEMBL14620918 | 0.72 | KDM4E (0.39) | NOS2NOS3CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL305898 | 0.72 | CCR1 (0.39) | NOS2NOS3ALDH1A1LMNA | |
| SCHEMBL4322219 | 0.71 | ERN1 (0.38) | ALDH1A1 | |
| SCHEMBL18297654 | 0.70 | ERN1 (0.35) | CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1210043 | 0.70 | POLB (0.39) | CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6785950 | 0.69 | NUDT1 (0.36) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2252605-B1 | LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS | INST NAT SANTE RECH MED (FR) | 2018-06-13 | — | — | EP | disclosed |
| US-9125937-B2 | Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2015-09-08 | — | — | US | disclosed |
| US-20110044899-A1 | LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2011-02-24 | — | — | US | 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-20110044899-A1 | LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS | CBR3, ADRB3, HRH4 | NOS2 2211/4885NOS3 1518/4885CYP3A4 781/4885 |
“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.