Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.58 |
| ▸ | OXTR | P30559 | 5/20 | 0.46 |
| ▸ | CCKAR | P32238 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CCKBR | P32239 | 2/20 | 0.40 |
| ▸ | 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 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | 0.86 | KCNH2 (0.73) | KCNH2CCKARCCKBRPSEN1PSEN2 | |
| SCHEMBL8745232 | 0.84 | KCNH2 (0.57) | KCNH2OXTRCCKAROPRM1OPRL1 | |
| SCHEMBL8837727 | 0.79 | BDKRB1 (0.49) | KCNH2OXTRCCKARCCKBR | |
| SCHEMBL8745241 | 0.79 | KCNH2 (0.67) | KCNH2OXTRCCKBR | |
| SCHEMBL8837719 | 0.79 | KCNH2 (0.70) | KCNH2CCKARCCKBRPSEN1PSEN2 | |
| SCHEMBL8745135 | 0.78 | KCNH2 (0.71) | KCNH2CCKARCCKBRPSEN1PSEN2 | |
| SCHEMBL8745111 | 0.76 | KCNH2 (0.48) | KCNH2OXTRCCKARALDH1A1CCKBR | |
| SCHEMBL8761589 | 0.76 | KCNH2 (0.80) | KCNH2OXTRCCKARCCKBRPSEN1 | |
| SCHEMBL9286936 | 0.74 | KCNH2 (0.63) | KCNH2OXTRCCKARCCKBRPSEN1 | |
| SCHEMBL7090700 | 0.73 | KCNH2 (1.00) | KCNH2CCKARCCKBRPSEN1PSEN2 |
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 |