Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GYS1 | P13807 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL14889460 | 0.88 | KDM4E (0.41) | KDM4EALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL12985731 | 0.87 | KDM4E (0.42) | KDM4EALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL20975307 | 0.86 | KDM4E (0.43) | KDM4EL3MBTL1ALDH1A1HTTPOLB | |
| SCHEMBL20975309 | 0.86 | KDM4E (0.43) | KDM4EL3MBTL1ALDH1A1HTTPOLB | |
| Butane SCHEMBL3896794 | 0.86 | KDM4E (0.40) | KDM4EALDH1A1CYP2D6CYP2C19MAPT | |
| Butane SCHEMBL2364892 | 0.85 | KDM4E (0.40) | KDM4EALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL14889404 | 0.84 | KDM4E (0.43) | KDM4EALDH1A1MAPTHTTPOLB | |
| SCHEMBL16106094 | 0.84 | KDM4E (0.38) | KDM4EALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL4411970 | 0.83 | KDM4E (0.45) | KDM4EALDH1A1CYP2D6CYP2C19MAPT | |
| SCHEMBL14071837 | 0.83 | KDM4E (0.45) | KDM4EALDH1A1CYP2D6CYP2C19MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362331-B1 | PYRROLO(2,1-C)(1,4)BENZODIAZEPINE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2002-03-26 | — | — | US | disclosed |