Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13716418 | 0.87 | CYP19A1 (0.39) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL1379187 | 0.85 | KCNA5 (0.40) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL15005817 | 0.81 | CYP19A1 (0.38) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL3899464 | 0.81 | VNN1 (0.43) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL3818719 | 0.80 | CYP19A1 (0.42) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL3887314 | 0.80 | CYP19A1 (0.42) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL3810697 | 0.80 | CYP19A1 (0.42) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL13716204 | 0.79 | S1PR1 (0.37) | VNN1CLK4GRM5 | |
| SCHEMBL1383218 | 0.77 | VNN1 (0.45) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 | |
| SCHEMBL3814522 | 0.77 | VNN1 (0.40) | KCNA5KCNH2CYP19A1CHRNB2CHRNA5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7569589-B2 | Potassium channel inhibitors | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569589-B2 | Potassium channel inhibitors | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |