Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 15/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4842475 | 0.95 | BACE1 (0.47) | RORCBACE1MMP8MMP3TRPA1 | |
| SCHEMBL4842623 | 0.95 | BACE1 (0.47) | RORCBACE1MMP8MMP3TRPA1 | |
| SCHEMBL4834178 | 0.95 | BACE1 (0.47) | RORCBACE1MMP8MMP3TRPA1 | |
| SCHEMBL4834162 | 0.94 | BACE1 (0.46) | RORCBACE1MMP8MMP3TRPA1 | |
| SCHEMBL4841476 | 0.94 | BACE1 (0.46) | RORCBACE1MMP8MMP3TRPA1 | |
| Potassium SCHEMBL4841487 | 0.94 | BACE1 (0.46) | RORCBACE1MMP8MMP3TRPA1 | |
| Tromethamine SCHEMBL4837602 | 0.91 | BACE1 (0.44) | RORCBACE1MMP8MMP3TRPA1 | |
| SCHEMBL4842113 | 0.90 | RORC (0.44) | RORCBACE1MMP8MMP3TRPA1 | |
| SCHEMBL4834165 | 0.90 | BACE1 (0.47) | RORCBACE1MMP8MMP3TRPA1 | |
| Potassium Ion SCHEMBL4841481 | 0.90 | BACE1 (0.47) | RORCBACE1MMP8MMP3TRPA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7465811-B2 | Indoline compounds | LABORATOIRES FOURNIER S.A. (FR) | 2008-12-16 | — | — | US | disclosed |
| US-20080119465-A1 | Novel Indoline Compounds | LABORATORIES FOURNIER S.A. (FR) | 2008-05-22 | — | — | 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-20080119465-A1 | Novel Indoline Compounds | GPR119, INSR, IRS1 | RORC 1777/4885BACE1 94/4885MMP8 3968/4885 |
“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.