Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 7/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1242823 | 0.90 | KCNA5 (0.67) | KCNA5KCNH2LMNACYP1A2CYP3A4 | |
| SCHEMBL1242947 | 0.90 | KCNA5 (0.67) | KCNA5KCNH2LMNACYP1A2CYP3A4 | |
| SCHEMBL1242079 | 0.80 | KCNA5 (0.53) | KCNA5KCNH2EPHX2CYP19A1CYP1A2 | |
| SCHEMBL4580891 | 0.73 | POLB (0.48) | KCNA5KCNH2POLBEPHX2CYP19A1 | |
| SCHEMBL1242980 | 0.72 | KCNA5 (0.65) | KCNA5KCNH2LMNACYP1A2CYP3A4 | |
| SCHEMBL1242316 | 0.72 | KCNA5 (1.00) | KCNA5KCNH2CYP19A1CYP3A4 | |
| SCHEMBL1243055 | 0.72 | KCNA5 (0.75) | KCNA5KCNH2POLBCYP19A1 | |
| SCHEMBL1240326 | 0.71 | KCNA5 (0.74) | KCNA5KCNH2 | |
| SCHEMBL30927967 | 0.71 | CYP19A1 (0.51) | KCNA5CYP19A1LMNACYP1A2CYP3A4 | |
| SCHEMBL29226478 | 0.71 | CYP19A1 (0.51) | KCNA5CYP19A1LMNACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7879839-B2 | For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |