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 | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | GLB1 | P16278 | 1/20 | 0.33 |
| ▸ | OGG1 | O15527 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | EBP | Q15125 | 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL6942229 | 0.95 | GNAI3 (0.39) | CHRNA7S1PR1S1PR3S1PR5GNAI3 | |
| SCHEMBL8108441 | 0.91 | CHRNA7 (0.44) | CHRNA7ALDH1A1CYP2D6SIGMAR1OPRM1 | |
| SCHEMBL6942014 | 0.91 | CHRNA7 (0.44) | CHRNA7ALDH1A1CYP2D6SIGMAR1OPRM1 | |
| Diethylamine SCHEMBL8108743 | 0.90 | ALDH1A1 (0.41) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Diethylamine SCHEMBL6943998 | 0.90 | ALDH1A1 (0.41) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Dimethylamine SCHEMBL8115201 | 0.90 | CHRNA7 (0.40) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Dimethylamine SCHEMBL6950205 | 0.90 | CHRNA7 (0.40) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8099579 | 0.89 | CHRNA7 (0.37) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6939508 | 0.89 | CHRNA7 (0.37) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6941816 | 0.89 | CHRNA7 (0.37) | CHRNA7ALDH1A1CYP1A2CYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6642231-B2 | Antineoplastic agents, treatment for neuronal injury and degeneration | AVENTIS PHARMACEUTICALS INC. | 2003-11-04 | — | — | US | disclosed |
| EP-1056744-B1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMA INC (US) | 2003-10-22 | — | — | EP | disclosed |
| US-20030105098-A1 | 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | AVENTISUB II INC. | 2003-06-05 | — | — | US | disclosed |
| US-6479487-B1 | INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS | AVENTIS PHARMACEUTICALS INC. | 2002-11-12 | — | — | 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-20030105098-A1 | 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | CDK6, CDK5, CDK2 | CHRNA7 3390/4885ALDH1A1 2147/4885CYP1A2 3237/4885 |
“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.