Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | EED | O75530 | 1/20 | 0.37 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.37 |
| ▸ | EZH2 | Q15910 | 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 | |
|---|---|---|---|---|
| SCHEMBL4974371 | 0.78 | KCNA5 (0.50) | CYP3A4ALDH1A1CYP1A2TSHRHSD17B10 | |
| SCHEMBL884336 | 0.78 | KCNA5 (0.60) | CYP3A4ALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL1368757 | 0.77 | ALDH1A1 (0.42) | CYP3A4ALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL4975470 | 0.74 | KCNA5 (0.51) | ALDH1A1TSHR | |
| SCHEMBL10094621 | 0.70 | CYP1A2 (0.57) | CYP3A4ALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL3241755 | 0.69 | CNR2 (0.56) | ALDH1A1ACVR1BTGFBR1BRD4CREBBP | |
| SCHEMBL3623417 | 0.69 | PDK2 (0.42) | ALDH1A1 | |
| SCHEMBL15784005 | 0.67 | ATR (0.52) | CYP3A4ALDH1A1CYP1A2CYP2D6TSHR | |
| SCHEMBL10094346 | 0.67 | FYN (0.48) | ACVR1BTGFBR1BRD4CREBBPFYN | |
| SCHEMBL884799 | 0.67 | KCNA5 (0.52) | CYP3A4ALDH1A1CYP1A2CYP2D6TSHR |
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-1993551-A2 | POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2008-11-26 | — | — | EP | claimed |
| WO-2007089735-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2007-08-09 | — | — | WO | claimed |