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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DUT | P33316 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL333169 | 0.91 | DUT (0.34) | DUT | |
| Isobutane SCHEMBL28764300 | 0.84 | DUT (0.32) | DUT | |
| SCHEMBL738264 | 0.81 | DUT (0.34) | ALDH1A1TSHRDUT | |
| SCHEMBL12143234 | 0.78 | DUT (0.41) | DUT | |
| SCHEMBL680782 | 0.78 | DUT (0.41) | DUT | |
| SCHEMBL571057 | 0.77 | DUT (0.39) | DUT | |
| SCHEMBL1038400 | 0.77 | ODC1 (0.42) | DUT | |
| Ammonia Solution, Strong SCHEMBL9187414 | 0.76 | DUT (0.38) | DUT | |
| SCHEMBL334934 | 0.76 | DUT (0.38) | DUT | |
| SCHEMBL1785391 | 0.76 | DUT (0.38) | TSHRDUT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1462452-B1 | Compounds that reversibly bind bicarbonate | ROCHE DIAGNOSTICS GMBH (DE) | 2014-11-05 | — | — | EP | disclosed |
| US-7033541-B2 | Bicarbonate receptor compounds | ROCHE DIAGNOSTICS OPERATIONS, INC. | 2006-04-25 | — | — | US | disclosed |
| US-20040191917-A1 | Bicarbonate receptor compounds | ROCHE DIAGNOSTICS CORPORATION | 2004-09-30 | — | — | US | disclosed |
| EP-1462452-A1 | Bicarbonate receptor compounds | Roche Diagnostics GmbH (DE) | 2004-09-29 | — | — | EP | disclosed |