Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | OXTR | P30559 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.38 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CCKBR | P32239 | 2/20 | 0.38 |
| ▸ | CCKAR | P32238 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8745310 | 0.88 | KCNH2 (0.73) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8760297 | 0.85 | KCNH2 (0.78) | KCNH2OXTRPSEN1PSEN2APH1B | |
| SCHEMBL8761581 | 0.85 | KCNH2 (0.78) | KCNH2OXTRPSEN1PSEN2APH1B | |
| SCHEMBL8745172 | 0.84 | KCNH2 (0.58) | KCNH2OXTROPRM1OPRL1ALDH1A1 | |
| SCHEMBL8760312 | 0.84 | KCNH2 (0.63) | KCNH2OXTRCCKBRCCKAR | |
| SCHEMBL8761291 | 0.80 | KCNH2 (0.70) | KCNH2OXTRPSEN1PSEN2APH1B | |
| SCHEMBL8837719 | 0.80 | KCNH2 (0.70) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8745135 | 0.79 | KCNH2 (0.71) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8083313 | 0.78 | CCKBR (0.53) | KCNH2OPRM1OPRL1ALDH1A1MEN1 | |
| SCHEMBL9266063 | 0.77 | KCNH2 (0.59) | KCNH2OXTRCCKBRCCKARHDAC3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730584-A4 | 3-ACYLAMINOBENZODIAZEPINES | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0730584-A1 | 3-ACYLAMINOBENZODIAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |
| US-5428157-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1995-06-27 | — | — | US | disclosed |
| WO-1995014676-A1 | 3-ACYLAMINOBENZODIAZEPINES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |