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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 2/20 | 0.46 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL684220 | 0.89 | — | — | |
| Dimethylamine SCHEMBL6945951 | 0.86 | GNAI3 (0.48) | GNAI3GNAO1GNAI1SMN1; SMN2SPHK1 | |
| Hydrochloric Acid SCHEMBL23247778 | 0.86 | GNAI3 (0.57) | GNAI3GNAO1GNAI1SMN1; SMN2SPHK1 | |
| Hydrochloric Acid SCHEMBL3277895 | 0.86 | GNAI3 (0.57) | GNAI3GNAO1GNAI1SMN1; SMN2SPHK1 | |
| SCHEMBL6943963 | 0.83 | GNAI3 (0.47) | GNAI3GNAO1GNAI1SMN1; SMN2SPHK1 | |
| Diethylamine SCHEMBL6945135 | 0.83 | GNAI3 (0.56) | GNAI3GNAO1GNAI1SPHK1EPHX1 | |
| Formic Acid SCHEMBL28912181 | 0.81 | SMN1; SMN2 (0.52) | GNAI3GNAO1GNAI1SMN1; SMN2SPHK1 | |
| SCHEMBL6947754 | 0.80 | GNAI3 (0.53) | GNAI3GNAO1GNAI1SMN1; SMN2SPHK1 | |
| Diethylamine SCHEMBL6946338 | 0.80 | GNAO1 (0.68) | GNAI3GNAO1GNAI1SPHK1EPHX1 | |
| SCHEMBL10271086 | 0.80 | GNAI3 (0.47) | GNAI3GNAO1GNAI1SMN1; SMN2SPHK1 |
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 6 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 |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | 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 | GNAI3 2099/4885GNAO1 2886/4885GNAI1 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.