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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 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 SCHEMBL3256888 | 0.92 | KMT2A (0.39) | KMT2AMAPTCDK5CDK5R1POLB | |
| SCHEMBL9820307 | 0.92 | ALDH1A1 (0.35) | KMT2AMAPTCDK5CDK5R1POLB | |
| SCHEMBL1436652 | 0.82 | TSHR (0.41) | KMT2AMAPTCDK5CDK5R1POLB | |
| Nitric Acid SCHEMBL28557915 | 0.73 | ALDH1A1 (0.37) | MAPTPOLBPKM | |
| SCHEMBL28225017 | 0.73 | ALDH1A1 (0.41) | KMT2AMAPTPOLBPKMKAT2B | |
| SCHEMBL7263052 | 0.73 | PTGER1 (0.41) | — | |
| SCHEMBL4303717 | 0.73 | ALDH1A1 (0.34) | KMT2AMAPTPOLBPKM | |
| SCHEMBL27957680 | 0.73 | TSHR (0.44) | KMT2AMAPTBLMNPC1 | |
| SCHEMBL9383147 | 0.73 | KAT2B (0.49) | KMT2AMAPTCDK5CDK5R1POLB | |
| SCHEMBL6278461 | 0.72 | TDP1 (0.42) | KMT2AMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-7736395-B2 | direct dyes | L'OREAL S.A. (FR) | 2010-06-15 | — | — | US | claimed |