Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 3/20 | 0.47 |
| ▸ | GRM5 | P41594 | 4/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27549059 | 0.77 | KCNA5 (0.51) | KCNA5GRM5CHRNB2CHRNA4NOTUM | |
| SCHEMBL3409401 | 0.76 | KCNA5 (0.49) | KCNA5GRM5CHRNB2CHRNA4CYP2A6 | |
| Hydrochloric Acid SCHEMBL4024971 | 0.74 | KCNA5 (0.47) | KCNA5GRM5CHRNB2CHRNA4CYP2A6 | |
| SCHEMBL13443083 | 0.71 | KCNA5 (0.47) | KCNA5GRM5CHRNB2CHRNA4NOTUM | |
| SCHEMBL10094607 | 0.71 | KCNA5 (0.57) | KCNA5GRM5CHRNB2CHRNA4NOTUM | |
| SCHEMBL5075470 | 0.71 | KCNA5 (0.50) | KCNA5GRM5CHRNB2CHRNA4NOTUM | |
| SCHEMBL1097763 | 0.70 | — | — | |
| SCHEMBL12919963 | 0.70 | KCNA5 (0.46) | KCNA5GRM5CHRNB2CHRNA4 | |
| SCHEMBL4770280 | 0.70 | KCNA5 (0.40) | KCNA5GRM5CHRNB2CHRNA4NOTUM | |
| SCHEMBL29435745 | 0.68 | — | — |
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 | disclosed |
| WO-2007050348-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | disclosed |