Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | DTYMK | P23919 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | KLK7 | P49862 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8014569 | 0.71 | BCHE (0.47) | BCHEGPR119AKT1DTYMKMAPT | |
| SCHEMBL20013877 | 0.70 | BCHE (0.66) | BCHEGPR119KDM1AP2RX4DTYMK | |
| SCHEMBL7854693 | 0.67 | SMN1; SMN2 (0.37) | BCHEMAPT | |
| SCHEMBL26628082 | 0.67 | BCHE (0.52) | BCHEGPR119KDM1ACDK1DTYMK | |
| SCHEMBL31274704 | 0.67 | BCHE (0.52) | BCHEGPR119KDM1ACDK1DTYMK | |
| SCHEMBL13144372 | 0.66 | CES1 (0.61) | BCHECDK1MAPTKMT2A | |
| SCHEMBL13415040 | 0.66 | BCHE (0.55) | BCHEGPR119KDM1ACDK1DTYMK | |
| SCHEMBL902929 | 0.66 | BCHE (0.48) | BCHEGPR119USP30DTYMKABCB1 | |
| SCHEMBL5121655 | 0.66 | BCHE (0.54) | BCHEGPR119CDK1DTYMKKLK7 | |
| SCHEMBL27345565 | 0.65 | MGLL (0.52) | BCHEKMT2A |
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 2 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 | 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 |