Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Monoethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL10766788 | 0.89 | CTSD (0.65) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| SCHEMBL115478 | 0.89 | CTSD (0.65) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| Alcohol SCHEMBL6835144 | 0.88 | CTSD (0.60) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8025084 | 0.88 | CTSD (0.62) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL10550781 | 0.88 | CTSD (0.62) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| Monoethanolamine SCHEMBL28398862 | 0.87 | CTSD (0.58) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| Sodium Chloride SCHEMBL9877634 | 0.83 | CTSD (0.57) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| Monoethanolamine SCHEMBL28119392 | 0.83 | CTSD (0.54) | CTSDALDH1A1TDP1CYP3A4CYP2C9 | |
| Aziridine SCHEMBL5805605 | 0.81 | CTSD (0.56) | CTSDALDH1A1TDP1CYP1A2CYP3A4 | |
| Nitrophenolate SCHEMBL28310005 | 0.77 | GPR35 (0.52) | CTSDALDH1A1TDP1PLAUTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111172544-A | Mixed acid amide type water-based gas-phase antirust concentrated solution and preparation and use methods thereof | 青岛科技大学 | 2020-05-19 | — | — | CN | claimed |
| CN-111172544-A | Mixed acid amide type water-based gas-phase antirust concentrated solution and preparation and use methods thereof | 青岛科技大学 | 2020-05-19 | — | — | CN | disclosed |