Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 3/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7044669 | 0.92 | CCKBR (0.51) | KCNH2CCKBRXIAP | |
| SCHEMBL8075805 | 0.89 | KCNH2 (0.56) | KCNH2CCKBRCCR3PSEN1PSEN2 | |
| SCHEMBL7037818 | 0.85 | KCNH2 (0.41) | KCNH2CCR3PSEN1PSEN2APH1B | |
| SCHEMBL8075696 | 0.83 | SIGMAR1 (0.49) | KCNH2SIGMAR1 | |
| SCHEMBL7854695 | 0.82 | KCNH2 (0.41) | KCNH2CCR3PSEN1PSEN2APH1B | |
| SCHEMBL8075704 | 0.80 | ALDH1A1 (0.52) | KCNH2CCKBRSIGMAR1 | |
| SCHEMBL8761397 | 0.78 | KCNH2 (0.69) | KCNH2CCKBRPSEN1PSEN2APH1B | |
| SCHEMBL8760298 | 0.78 | KCNH2 (0.69) | KCNH2CCKBRPSEN1PSEN2APH1B | |
| SCHEMBL8761607 | 0.78 | KCNH2 (0.69) | KCNH2CCKBRPSEN1PSEN2APH1B | |
| SCHEMBL8075665 | 0.77 | KCNH2 (0.49) | KCNH2CCKBRSIGMAR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832075-B1 | N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | MERCK & CO INC (US) | 2000-10-11 | — | — | EP | claimed |
| EP-0832075-A4 | NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | MERCK & CO INC (US) | 1998-10-07 | — | — | EP | claimed |
| EP-0832075-A1 | NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | claimed |
| US-5691331-A | N-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3yl) -3- amides | MERCK & CO., INC. (US) | 1997-11-25 | — | — | US | claimed |
| WO-1996040655-A1 | NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | claimed |
| EP-0832075-B1 | N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | MERCK & CO INC (US) | 2000-10-11 | — | — | EP | disclosed |
| EP-0832075-A4 | NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | MERCK & CO INC (US) | 1998-10-07 | — | — | EP | disclosed |
| EP-0832075-A1 | NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| US-5691331-A | N-(2,4-Dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3yl) -3- amides | MERCK & CO., INC. (US) | 1997-11-25 | — | — | US | disclosed |
| WO-1996040655-A1 | NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3Y L)-3-AMIDES | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |