Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MGLL | Q99685 | 6/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7041081 | 0.78 | MGLL (0.40) | SMN1; SMN2MGLLFAAHCYP2D6CYP2C9 | |
| SCHEMBL27345565 | 0.72 | MGLL (0.52) | MGLLFAAHALDH1A1NPSR1CES2 | |
| SCHEMBL7854696 | 0.72 | MGLL (0.37) | SMN1; SMN2MGLLFAAHALDH1A1HTT | |
| SCHEMBL7860347 | 0.72 | ALDH1A1 (0.38) | SMN1; SMN2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL15840870 | 0.70 | GAA (0.41) | MGLLALDH1A1NPSR1CES2BCHE | |
| SCHEMBL12769741 | 0.67 | ALDH1A1 (0.38) | SMN1; SMN2MGLLFAAHCYP2D6CYP2C9 | |
| SCHEMBL5000976 | 0.67 | SMN1; SMN2 (0.46) | SMN1; SMN2MGLLFAAHCYP2D6CYP2C9 | |
| SCHEMBL30396025 | 0.67 | SMN1; SMN2 (0.46) | SMN1; SMN2MGLLFAAHCYP2D6CYP2C9 | |
| SCHEMBL7854683 | 0.67 | BCHE (0.48) | BCHEMAPT | |
| SCHEMBL7041525 | 0.67 | MGLL (0.39) | SMN1; SMN2MGLLFAAHCYP2D6CYP2C9 |
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 |