Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.69 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.55 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.55 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.55 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.55 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.55 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.55 |
| ▸ | GSAP | A4D1B5 | 1/20 | 0.55 |
| ▸ | CCKBR | P32239 | 9/20 | 0.53 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.53 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.53 |
| ▸ | OXTR | P30559 | 2/20 | 0.51 |
| ▸ | CCKAR | P32238 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8760298 | 1.00 | KCNH2 (0.69) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8761397 | 1.00 | KCNH2 (0.69) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8760279 | 0.93 | KCNH2 (0.60) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8761602 | 0.90 | CCKBR (0.57) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8761096 | 0.89 | OXTR (0.58) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8760280 | 0.89 | OXTR (0.58) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8761227 | 0.86 | KCNH2 (0.59) | KCNH2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8761280 | 0.86 | KCNH2 (0.71) | KCNH2CCKBRRAMP1CALCRLCCKAR | |
| SCHEMBL8761080 | 0.86 | CCKBR (0.63) | CCKBRCCKAR | |
| SCHEMBL8761569 | 0.86 | CCKBR (0.63) | CCKBRCCKAR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0776203-A4 | N-2,3-DIHYDRO-1-(2-PROPYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO INC (US) | 1997-12-29 | — | — | EP | claimed |
| EP-0776203-A1 | N-2,3-DIHYDRO-1-(2-PROPYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO. INC. (US) | 1997-06-04 | — | — | EP | claimed |
| WO-1996005827-A1 | N-2,3-DIHYDRO-1-(2-PROPYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO., INC. (US) | 1996-02-29 | — | — | WO | claimed |
| EP-0776203-A4 | N-2,3-DIHYDRO-1-(2-PROPYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO INC (US) | 1997-12-29 | — | — | EP | disclosed |
| EP-0776203-A1 | N-2,3-DIHYDRO-1-(2-PROPYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO. INC. (US) | 1997-06-04 | — | — | EP | disclosed |
| US-5633251-A | N-2,3-dihydro-1-(2-propyl)-2-oxo-5-phenyl-1h-1,4-benzodiazepines | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| WO-1996005827-A1 | N-2,3-DIHYDRO-1-(2-PROPYL)-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPINES | MERCK & CO., INC. (US) | 1996-02-29 | — | — | WO | disclosed |