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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GUCY1B2 | O75343 | 19/20 | 0.45 |
| ▸ | GUCY1A2 | P33402 | 19/20 | 0.45 |
| ▸ | GUCY1A1 | Q02108 | 19/20 | 0.45 |
| ▸ | GUCY1B1 | Q02153 | 19/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3239261 | 0.96 | GUCY1B2 (0.47) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3239711 | 0.91 | NPC1 (0.44) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3233312 | 0.90 | GUCY1B2 (0.47) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| Monoethanolamine SCHEMBL3230998 | 0.89 | GUCY1B2 (0.45) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3233780 | 0.89 | GUCY1B2 (0.46) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3228802 | 0.89 | SMN1; SMN2 (0.42) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3231021 | 0.89 | SMN1; SMN2 (0.44) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3230950 | 0.88 | RAB9A (0.47) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3234749 | 0.88 | GUCY1B2 (0.42) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 | |
| SCHEMBL3230062 | 0.88 | GUCY1B2 (0.44) | GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2594270-A2 | The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) | BIP Patents (DE) | 2013-05-22 | — | — | EP | claimed |
| EP-2594270-A2 | The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) | BIP Patents (DE) | 2013-05-22 | — | — | EP | disclosed |
| WO-2010015652-A2 | THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-11 | — | — | WO | disclosed |