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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 7/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.57 |
| ▸ | SYK | P43405 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382414 | 0.96 | KCNA5 (0.61) | KCNA5KCNH2KDM4EHTTTAAR1 | |
| SCHEMBL1385287 | 0.92 | KCNA5 (0.60) | KCNA5KCNH2KDM4EADORA1RAD52 | |
| SCHEMBL6047735 | 0.91 | KCNA5 (0.59) | KCNA5KCNH2SYKKDM4EADORA1 | |
| SCHEMBL1382986 | 0.86 | KCNA5 (0.68) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1383316 | 0.86 | KCNA5 (0.68) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1382989 | 0.86 | KCNA5 (0.68) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL3120498 | 0.85 | KCNA5 (0.61) | KCNA5KCNH2KDM4EHTTTAAR1 | |
| SCHEMBL3119826 | 0.85 | KCNA5 (0.54) | KCNA5KCNH2KDM4EALDH1A1NPSR1 | |
| SCHEMBL1384017 | 0.84 | KCNA5 (0.81) | KCNA5KCNH2KDM4EADORA1ALDH1A1 | |
| SCHEMBL5500034 | 0.84 | KCNA5 (0.81) | KCNA5KCNH2KDM4EADORA1ALDH1A1 |
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-1667979-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1667979-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005030130-A2 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | WO | disclosed |