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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.74 |
| ▸ | MAPT | P10636 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | MPO | P05164 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL357594 | 0.92 | SIGMAR1 (0.65) | GAAMAPTTDP1SIGMAR1MPO | |
| SCHEMBL6265883 | 0.90 | SMN1; SMN2 (0.76) | GAAMAPTSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6895167 | 0.90 | SIGMAR1 (0.63) | GAAMAPTSMN1; SMN2TDP1SIGMAR1 | |
| SCHEMBL177039 | 0.90 | MEN1 (0.73) | GAAMAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL19401259 | 0.90 | MEN1 (0.73) | GAAMAPTSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6897315 | 0.88 | SMN1; SMN2 (0.72) | GAAMAPTSMN1; SMN2MEN1KMT2A | |
| Bromide SCHEMBL11864024 | 0.88 | MEN1 (0.70) | GAAMAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL27228 | 0.88 | GAA (0.95) | GAAMAPTMEN1KMT2ATDP1 | |
| SCHEMBL25432637 | 0.86 | GAA (0.91) | GAAMAPTMEN1KMT2ATDP1 | |
| Hydrochloric Acid SCHEMBL1983401 | 0.86 | GAA (1.00) | GAAMAPTMEN1KMT2ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1848289-A2 | AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS | Senomyx, Inc. (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006084246-A2 | AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS | SENOMYX, INC. (US) | 2006-08-10 | — | — | WO | disclosed |