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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAO1 | P09471 | 11/20 | 0.68 |
| ▸ | GNAI3 | P08754 | 10/20 | 0.68 |
| ▸ | GNAI1 | P63096 | 10/20 | 0.68 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 SCHEMBL6941583 | 0.95 | GNAO1 (0.77) | GNAO1GNAI3GNAI1SPHK1KCNH2 | |
| SCHEMBL6941884 | 0.90 | GNAO1 (0.81) | GNAO1GNAI3GNAI1SPHK1KCNH2 | |
| Dimethylamine SCHEMBL6943947 | 0.89 | GNAO1 (0.72) | GNAO1GNAI3GNAI1SPHK1EPHX1 | |
| Diethylamine SCHEMBL6945135 | 0.89 | GNAI3 (0.56) | GNAO1GNAI3GNAI1SPHK1EPHX1 | |
| Hydrochloric Acid SCHEMBL9481013 | 0.88 | GNAO1 (0.85) | GNAO1GNAI3GNAI1SPHK1KCNH2 | |
| SCHEMBL6944193 | 0.87 | GNAO1 (0.66) | GNAO1GNAI3GNAI1SPHK1EPHX1 | |
| SCHEMBL6943797 | 0.87 | GNAO1 (0.66) | GNAO1GNAI3GNAI1SPHK1EPHX1 | |
| SCHEMBL595977 | 0.84 | GNAO1 (0.92) | GNAO1GNAI3GNAI1SPHK1KCNH2 | |
| Dimethylamine SCHEMBL6943083 | 0.83 | GNAO1 (0.82) | GNAO1GNAI3GNAI1SPHK1KCNH2 | |
| SCHEMBL8168253 | 0.83 | GNAO1 (0.70) | GNAO1GNAI3GNAI1SPHK1 |
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 | GNAO1 2886/4885GNAI3 2099/4885GNAI1 2256/4885 |
“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.