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 | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | GGT1 | P19440 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | MMP9 | P14780 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | RIMKLA | Q8IXN7 | 1/20 | 0.32 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | BMP1 | P13497 | 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 | |
|---|---|---|---|---|
| SCHEMBL2242496 | 0.91 | NOD1 (0.46) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL5023601 | 0.91 | NOD1 (0.46) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL22042 | 0.85 | KMT2A (0.45) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL6156358 | 0.85 | KMT2A (0.45) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL1226472 | 0.85 | KMT2A (0.45) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL3364090 | 0.84 | NOD1 (0.42) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL27546900 | 0.84 | NOD1 (0.42) | NOD1KMT2AALOX15BLMPMP22 | |
| Glutamine SCHEMBL27968519 | 0.82 | ALOX15 (0.54) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL7759622 | 0.81 | NOD1 (0.57) | NOD1KMT2AALOX15BLMPMP22 | |
| SCHEMBL7759612 | 0.81 | NOD1 (0.57) | NOD1KMT2AALOX15BLMPMP22 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5858244-A | COPOLYMER COMPRISING AT LEAST ONE OF N-OXYGENATEDHYDROCARBONAMIDE MONOMERS AND AT LEAST ONE OF AMINO ACID MONOMERS, POLYSUCCINIMIDES | NALCO CHEMICAL COMPANY (US) | 1999-01-12 | — | — | US | disclosed |
| US-5776875-A | Use of biodegradable polymers in preventing scale build-up | NALCO CHEMICAL COMPANY (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0819653-A2 | Use of biodegradable polymers in preventing scale build-up | NALCO CHEMICAL COMPANY (US) | 1998-01-21 | — | — | EP | disclosed |