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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
| ▸ | KDM5A | P29375 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8523254 | 0.89 | ALDH1A1 (0.43) | MMP1MMP3DNM1EPHX1SMN1; SMN2 | |
| SCHEMBL2175916 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL5495147 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL29176010 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL7500724 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL7500730 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL5495146 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL2175914 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL7497648 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 | |
| SCHEMBL11442609 | 0.87 | ACE2 (0.44) | MMP1MMP3DNM1ACE2GPR84 |
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-1498939-A | Formulary system of amino acid type surfactant and application in tertiary oil recovery | 大庆高新区鑫诺精细化工有限公司 | 2004-05-26 | — | — | CN | disclosed |