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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL28026131 | 0.87 | CES2 (0.58) | SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1 | |
| 1,3-Propanediol SCHEMBL28344604 | 0.83 | CES2 (0.54) | SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1 | |
| SCHEMBL6847623 | 0.83 | ERCC5 (0.51) | SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1 | |
| SCHEMBL24446 | 0.82 | — | — | |
| SCHEMBL3811314 | 0.82 | CES2 (0.68) | SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1 | |
| SCHEMBL25212901 | 0.80 | — | — | |
| SCHEMBL3467845 | 0.80 | — | — | |
| SCHEMBL9580893 | 0.80 | CES2 (0.65) | SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL6719610 | 0.80 | — | — | |
| SCHEMBL38650830 | 0.80 | — | — |
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-104844582-A | Crystal form of diethanolamine salt of thrombopoietin mimic and preparation method thereof | JIANGSU HENGRUI MEDICINE CO | 2015-08-19 | — | — | CN | disclosed |