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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 9/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1974904 | 0.96 | TOP1 (0.45) | TOP1FFAR4KCNH2POLBKDM4E | |
| Choline SCHEMBL2201428 | 0.93 | TOP1 (0.41) | TOP1FFAR4KCNH2POLBKDM4E | |
| SCHEMBL2203724 | 0.90 | TOP1 (0.44) | TOP1KCNH2POLBKDM4EALDH1A1 | |
| SCHEMBL2201399 | 0.90 | TOP1 (0.47) | TOP1FFAR4KCNH2POLBKDM4E | |
| SCHEMBL2202260 | 0.90 | TOP1 (0.38) | TOP1FFAR4KDM4EALDH1A1LMNA | |
| SCHEMBL2204916 | 0.89 | TOP1 (0.46) | TOP1FFAR4KCNH2POLBKDM4E | |
| SCHEMBL2201486 | 0.89 | TOP1 (0.42) | TOP1KCNH2POLB | |
| SCHEMBL2204011 | 0.89 | TOP1 (0.47) | TOP1FFAR4KCNH2POLBKDM4E | |
| SCHEMBL12427403 | 0.89 | TOP1 (0.44) | TOP1FFAR4KCNH2POLBKDM4E | |
| SCHEMBL1972467 | 0.88 | TOP1 (0.44) | TOP1KCNH2POLBKDM4EALDH1A1 |
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-7977349-B2 | Substituted quinolones III | AICURIS GMBH & CO. KG (DE) | 2011-07-12 | — | — | US | disclosed |
| US-20090181996-A1 | SUBSTITUTED QUINOLONES III | BAYER HEALTHCARE AG (DE) | 2009-07-16 | — | — | 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-20090181996-A1 | SUBSTITUTED QUINOLONES III | IRF3, TPMT, TOP2A | TOP1 4/4885FFAR4 4618/4885KCNH2 3792/4885 |
“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.