Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.72 |
| ▸ | CCKBR | P32239 | 2/20 | 0.72 |
| ▸ | CALCRL | Q16602 | 9/20 | 0.55 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.55 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.53 |
| ▸ | CCKAR | P32238 | 1/20 | 0.53 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8420210 | 1.00 | KCNH2 (0.72) | KCNH2CCKBRCALCRLSCN9ASENP1 | |
| SCHEMBL8422703 | 1.00 | KCNH2 (0.72) | KCNH2CCKBRCALCRLSCN9ASENP1 | |
| SCHEMBL7967402 | 0.88 | CCKBR (0.79) | KCNH2CCKBRSCN9ASENP1CCKAR | |
| SCHEMBL8761230 | 0.86 | CCKBR (0.79) | KCNH2CCKBRSCN9ASENP1CCKAR | |
| SCHEMBL8619024 | 0.86 | KCNH2 (0.53) | KCNH2CCKBRCALCRLSCN9ARAMP1 | |
| SCHEMBL7207101 | 0.85 | KCNH2 (0.59) | KCNH2CCKBRCALCRLSCN9ASENP1 | |
| SCHEMBL8746530 | 0.84 | CCKBR (0.75) | KCNH2CCKBRSCN9ASENP1CCKAR | |
| SCHEMBL10435092 | 0.84 | CCKBR (0.75) | KCNH2CCKBRSCN9ASENP1CCKAR | |
| SCHEMBL8746541 | 0.84 | CCKBR (0.75) | KCNH2CCKBRSCN9ASENP1CCKAR | |
| SCHEMBL9525366 | 0.84 | CCKBR (1.00) | KCNH2CCKBRSCN9ACCKAR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0907644-A4 | PHARMACEUTICAL PREPARATION | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-0776208-B1 | 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO INC (US) | 1999-11-10 | — | — | EP | disclosed |
| EP-0907644-A1 | PHARMACEUTICAL PREPARATION | Merck & Co., Inc. (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1998000405-A1 | PHARMACEUTICAL PREPARATION | MERCK & CO., INC. (US) | 1998-01-08 | — | — | WO | disclosed |
| EP-0776208-A4 | 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO INC (US) | 1997-12-29 | — | — | EP | disclosed |
| US-5658901-A | 2,3-dihydro-1-(2,2,2,-trifluoroethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepines | MERCK & CO., INC. (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0776208-A1 | 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO. INC. (US) | 1997-06-04 | — | — | EP | disclosed |
| WO-1996005839-A1 | 2,3-DIHYDRO-1-(2,2,2-TRIFLUOROETHYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO., INC. (US) | 1996-02-29 | — | — | WO | disclosed |