Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNG | P07510 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CHRND | Q07001 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592805 | 0.82 | CHRM3 (0.57) | CHRM3CYP2B6GAASMN1; SMN2 | |
| SCHEMBL2126740 | 0.81 | CYP2B6 (0.59) | CHRM3CYP2B6 | |
| SCHEMBL3043721 | 0.81 | CYP2B6 (0.59) | CHRM3CYP2B6 | |
| SCHEMBL4444477 | 0.81 | CYP2B6 (0.59) | CHRM3CYP2B6 | |
| SCHEMBL2127676 | 0.81 | CYP2B6 (0.59) | CHRM3CYP2B6 | |
| SCHEMBL19690280 | 0.78 | CYP2B6 (0.59) | CHRM3HPGDALDH1A1GLACYP2B6 | |
| SCHEMBL13653551 | 0.76 | CYP2B6 (0.62) | CHRM3HPGDALDH1A1GLACYP2B6 | |
| SCHEMBL15123482 | 0.74 | KMT2A (0.45) | ALDH1A1GAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL18982762 | 0.74 | KMT2A (0.45) | ALDH1A1GAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL826639 | 0.74 | KMT2A (0.45) | ALDH1A1GAAMEN1KMT2ASMN1; SMN2 |
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 |