Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | PRKCI | P41743 | 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 | |
|---|---|---|---|---|
| SCHEMBL2063084 | 0.83 | KCNA5 (0.54) | CYP3A4CYP2C19HSD17B10ALDH1A1ALOX15 | |
| SCHEMBL884718 | 0.81 | KCNA5 (0.51) | ALDH1A1KCNA5KCNH2 | |
| SCHEMBL884639 | 0.80 | KCNA5 (0.45) | CYP3A4HSD17B10ALDH1A1TSHRKCNA5 | |
| SCHEMBL884569 | 0.80 | KCNA5 (0.51) | ALDH1A1KCNA5KCNH2 | |
| SCHEMBL5038360 | 0.80 | KCNA5 (0.48) | CYP3A4CYP2C19ALDH1A1CYP2C9CYP2D6 | |
| SCHEMBL5033715 | 0.79 | KCNA5 (0.50) | CYP3A4CYP2C19ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL884457 | 0.78 | KCNA5 (0.51) | CYP3A4CYP2C19ALDH1A1CYP1A2CLK4 | |
| SCHEMBL884595 | 0.78 | KCNA5 (0.45) | ALDH1A1KCNA5KCNH2 | |
| SCHEMBL884449 | 0.76 | KCNA5 (0.44) | CYP3A4ALDH1A1KCNA5KCNH2 | |
| SCHEMBL884817 | 0.76 | PDE4A (0.46) | CYP3A4CYP2C19HSD17B10ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1940406-A2 | POTASSIUM CHANNEL INHIBITORS | Merck and Co., Inc. (US) | 2008-07-09 | — | — | EP | claimed |
| WO-2007050348-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | claimed |