Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.43 |
| ▸ | CCKBR | P32239 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7860176 | 0.92 | KCNH2 (0.44) | KCNH2P2RX7CCKBRXIAPSIGMAR1 | |
| SCHEMBL7860301 | 0.85 | KCNH2 (0.45) | KCNH2P2RX7CCKBRLMNAALDH1A1 | |
| SCHEMBL8075666 | 0.83 | KCNH2 (0.55) | KCNH2P2RX7CCKBRALDH1A1KDM4E | |
| SCHEMBL7048902 | 0.83 | KCNH2 (0.52) | KCNH2CCKBRALDH1A1 | |
| SCHEMBL7817780 | 0.82 | KCNH2 (0.55) | KCNH2P2RX7CCKBRXIAPALDH1A1 | |
| SCHEMBL7854699 | 0.82 | KCNH2 (0.42) | KCNH2CCKBRXIAPALDH1A1MTNR1A | |
| SCHEMBL7039630 | 0.80 | KCNH2 (0.44) | KCNH2P2RX7XIAPSIGMAR1 | |
| SCHEMBL7861681 | 0.79 | KCNH2 (0.60) | KCNH2P2RX7SIGMAR1 | |
| SCHEMBL7854880 | 0.77 | SIGMAR1 (0.45) | KCNH2P2RX7SIGMAR1 | |
| SCHEMBL8075702 | 0.76 | ALDH1A1 (0.49) | KCNH2P2RX7CCKBRALDH1A1SIGMAR1 |
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-0830350-B1 | N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,5]DIAZEPIN-3-YL)-ACETAMIDES | MERCK & CO INC (US) | 2001-10-04 | — | — | EP | claimed |
| US-5726171-A | N-(1-alkyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo B! 1,4!diazepin-3yl)-acetamides | MERCK & CO INC (US) | 1998-03-10 | — | — | US | claimed |
| EP-0830350-B1 | N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,5]DIAZEPIN-3-YL)-ACETAMIDES | MERCK & CO INC (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-0830350-A4 | NOVEL N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPIN-3-YL)-ACETAMIDES | MERCK & CO INC (US) | 1998-09-30 | — | — | EP | disclosed |
| EP-0830350-A1 | NOVEL N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPIN-3-YL)-ACETAMIDES | Merck & Co., Inc. (US) | 1998-03-25 | — | — | EP | disclosed |
| US-5726171-A | N-(1-alkyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo B! 1,4!diazepin-3yl)-acetamides | MERCK & CO INC (US) | 1998-03-10 | — | — | US | disclosed |
| WO-1996040653-A1 | NOVEL N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPIN-3-YL)-ACETAMIDES | MERCK & CO., INC. (US) | 1996-12-19 | — | — | WO | disclosed |