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 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | AADAC | P22760 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30627320 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPSR1ARCYP3A4TSHR | |
| SCHEMBL1999849 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPSR1ARCYP3A4TSHR | |
| SCHEMBL3038035 | 0.79 | RAB9A (0.48) | ALDH1A1NPSR1ENPP2CYP3A4TSHR | |
| SCHEMBL28870196 | 0.79 | ALDH1A1 (0.48) | ALDH1A1NPSR1ENPP2ARCYP3A4 | |
| Phenol SCHEMBL27431402 | 0.78 | ALDH1A1 (0.47) | ALDH1A1NPSR1ENPP2ARCYP3A4 | |
| SCHEMBL27600566 | 0.76 | KMT2A (0.47) | ALDH1A1NPSR1CYP3A4TSHRALOX15 | |
| Diethanolamine SCHEMBL198856 | 0.75 | KAT2B (0.60) | ALDH1A1TSHRLMNAMAPK1HTT | |
| SCHEMBL514501 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TSHRMAPK1CYP2C19 | |
| SCHEMBL7458876 | 0.73 | ALDH1A1 (0.46) | ALDH1A1NPSR1ENPP2ARCYP3A4 | |
| Nitrobenzene SCHEMBL2241015 | 0.72 | ALDH1A1 (0.61) | ALDH1A1TSHRCES2LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711768-A1 | BENZIMIDAZOLE DERIVATIVE | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-05-15 | — | — | EP | disclosed |