Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | IL6ST | P40189 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 8/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5160821 | 1.00 | CYP2C19 (0.46) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL5160825 | 1.00 | CYP2C19 (0.46) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL6421893 | 1.00 | CYP2C19 (0.46) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL7350496 | 1.00 | CYP2C19 (0.46) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL7350489 | 1.00 | CYP2C19 (0.46) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL6422007 | 0.93 | PPARA (0.40) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL6422013 | 0.93 | PPARA (0.40) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL6421904 | 0.89 | PPARA (0.41) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL6581468 | 0.89 | PPARA (0.41) | CYP2C19PPARAIL6STNAAAIDH1 | |
| SCHEMBL6421902 | 0.89 | PPARA (0.41) | CYP2C19PPARAIL6STNAAAIDH1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126836-B1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | disclosed |
| EP-1126836-A4 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-1126836-A1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| US-6194458-B1 | 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS | MERCK & CO., INC. | 2001-02-27 | — | — | US | disclosed |
| WO-2000025774-A1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |