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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | FAP | Q12884 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL21117856 | 0.88 | SLC7A5 (0.44) | TPH1AURKANTRK1MMP8ACACB | |
| SCHEMBL20543461 | 0.88 | SLC7A5 (0.44) | TPH1AURKANTRK1MMP8ACACB | |
| SCHEMBL9967935 | 0.88 | SLC7A5 (0.44) | TPH1AURKANTRK1MMP8ACACB | |
| SCHEMBL7960935 | 0.83 | SLC7A5 (0.48) | TPH1MMP8ALDH1A1 | |
| SCHEMBL10076449 | 0.79 | ALDH1A1 (0.51) | TPH1ACACBALDH1A1DPP4FAP | |
| SCHEMBL10076403 | 0.79 | ALDH1A1 (0.51) | TPH1ACACBALDH1A1DPP4FAP | |
| SCHEMBL14139328 | 0.79 | SLC7A5 (0.44) | TPH1MMP8ACACBALDH1A1LMNA | |
| SCHEMBL16060244 | 0.79 | ALDH1A1 (0.51) | TPH1ACACBALDH1A1DPP4FAP | |
| Hydrochloric Acid SCHEMBL16060242 | 0.77 | ALDH1A1 (0.53) | TPH1ACACBALDH1A1DPP4FAP | |
| Hydrochloric Acid SCHEMBL16060240 | 0.77 | ALDH1A1 (0.53) | TPH1ACACBALDH1A1DPP4FAP |
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-7157454-B2 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI-AVENTIS (FR) | 2007-01-02 | — | — | US | disclosed |
| US-20040116353-A1 | Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same | SANOFI (FR) | 2004-06-17 | — | — | US | disclosed |