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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA6 | P23280 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL11519563 | 0.80 | LMNA (0.33) | TSHRLMNAKDM4EMAPK1 | |
| Allylamine SCHEMBL371327 | 0.78 | — | — | |
| Diethanolamine SCHEMBL7037644 | 0.78 | TSHR (0.35) | TSHRLMNAKDM4EMAPK1 | |
| SCHEMBL1344675 | 0.78 | — | — | |
| SCHEMBL7548251 | 0.76 | TSHR (0.33) | ALDH1A1TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL6898883 | 0.76 | — | — | |
| Allylamine SCHEMBL28494016 | 0.76 | — | — | |
| Diethanolamine SCHEMBL1235192 | 0.76 | CA12 (0.50) | ALDH1A1TSHRCA12CA6CA7 | |
| Diethanolamine SCHEMBL1336029 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRCA12CA6CA7 | |
| Diethanolamine SCHEMBL11849912 | 0.75 | SMN1; SMN2 (0.33) | ALDH1A1TSHRMEN1RECQLKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476791-B | Materials and methods for oil well cementing additives | 瀚森公司 | 2021-12-21 | — | — | CN | disclosed |