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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2486521 | 0.94 | TSHR (0.56) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL31441415 | 0.92 | TSHR (0.53) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL8941877 | 0.92 | MEN1 (0.58) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL7775663 | 0.89 | TSHR (0.50) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL720627 | 0.88 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL8373285 | 0.88 | TSHR (0.46) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Diethanolamine SCHEMBL10897038 | 0.87 | TSHR (0.48) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL15965457 | 0.85 | MEN1 (0.65) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL7077220 | 0.85 | MEN1 (0.65) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL10381823 | 0.85 | TSHR (0.49) | TSHRMAPK1MEN1KMT2AALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0553116-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1993-08-04 | — | — | EP | claimed |
| WO-1992006097-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1992-04-16 | — | — | WO | claimed |
| CN-115582142-A | Naphthenic ring isomerization catalyst and preparation method and application thereof | 中国石油大学(华东) | 2023-01-10 | — | — | CN | disclosed |
| CN-109401676-B | Environment-friendly adhesive for adhering metal to rubber and application thereof | 上海交通大学 | 2020-08-25 | — | — | CN | disclosed |
| EP-0553116-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1993-08-04 | — | — | EP | disclosed |
| WO-1992006097-A1 | PORPHYRIN DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1992-04-16 | — | — | WO | disclosed |
| US-5102777-A | Immersion solution consists of a solvent, amine and fatty acid , corrosion and chemical resistance to underlying metal layer | ARDROX INC. (US) | 1992-04-07 | — | — | US | disclosed |