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 | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 6/20 | 0.54 |
| ▸ | CA9 | Q16790 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6868015 | 0.94 | PTGES (0.68) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL22027542 | 0.83 | CYP3A4 (0.63) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL22073589 | 0.83 | CYP3A4 (0.60) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL22027571 | 0.83 | CYP3A4 (0.55) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL31087520 | 0.82 | CYP3A4 (0.57) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL22073690 | 0.82 | CYP3A4 (0.57) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL6868985 | 0.82 | CA12 (0.58) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL22076265 | 0.82 | CYP3A4 (0.54) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL22073613 | 0.81 | CYP3A4 (0.60) | PTGESCYP3A4CA12CA9ALDH1A1 | |
| SCHEMBL31087522 | 0.81 | CYP3A4 (0.60) | PTGESCYP3A4CA12CA9ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11529355-B2 | Compositions and methods for ameliorating pain and reducing fever | THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2022-12-20 | — | — | US | disclosed |
| US-20210379075-A1 | COMPOSITIONS AND METHODS FOR AMELIORATING PAIN AND REDUCING FEVER | THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2021-12-09 | — | — | US | disclosed |
| WO-2021142282-A1 | COMPOSITIONS AND METHODS FOR AMELIORATING PAIN AND REDUCING FEVER | THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2021-07-15 | — | — | WO | disclosed |
| US-11007199-B2 | Compositions and methods for ameliorating pain and reducing fever | THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2021-05-18 | — | — | US | disclosed |
| US-20200230087-A1 | COMPOSITIONS AND METHODS FOR AMELIORATING PAIN AND REDUCING FEVER | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2020-07-23 | — | — | 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 (4 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-20210379075-A1 | COMPOSITIONS AND METHODS FOR AMELIORATING PAIN AND REDUCING FEVER | MPO, ACHE, CAT | PTGES 19/4885CYP3A4 1694/4885CA12 358/4885 |
| US-11529355-B2 | Compositions and methods for ameliorating pain and reducing fever | MPO, ACHE, CAT | PTGES 19/4885CYP3A4 1694/4885CA12 358/4885 |
| US-20200230087-A1 | COMPOSITIONS AND METHODS FOR AMELIORATING PAIN AND REDUCING FEVER | MPO, ACHE, CAT | PTGES 19/4885CYP3A4 1694/4885CA12 358/4885 |
| US-11007199-B2 | Compositions and methods for ameliorating pain and reducing fever | MPO, ACHE, CAT | PTGES 19/4885CYP3A4 1694/4885CA12 358/4885 |
“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.