Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 5/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7338264 | 0.91 | TYMS (0.46) | CYP2A6MAOAMAOBPDE4APDE4B | |
| SCHEMBL7347685 | 0.83 | PDE3B (0.45) | MAOAPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7340801 | 0.80 | AURKB (0.43) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL7347752 | 0.80 | ALDH1A1 (0.42) | CYP2A6MAOAMAOBNPY5RTYMS | |
| SCHEMBL7340095 | 0.78 | KDM4E (0.60) | CYP2A6MAOAMAOBPDE4APDE4B | |
| SCHEMBL7335808 | 0.75 | KDM4E (0.64) | CYP2A6MAOAMAOBPDE4APDE4B | |
| SCHEMBL8630990 | 0.73 | KDM4E (0.58) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL7342347 | 0.72 | CES1 (0.44) | CYP2A6MAOAMAOBTYMSALDH1A1 | |
| SCHEMBL7336897 | 0.72 | CES1 (0.44) | CYP2A6MAOAMAOBTYMSKDM4E | |
| SCHEMBL7347975 | 0.72 | TYMS (0.51) | PDE4APDE4BPDE4CPDE4DPDE3B |
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 |
|---|---|---|---|---|---|---|---|
| US-4511569-A | Tricyclic lactams and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-04-16 | — | — | US | disclosed |
| EP-0102046-A1 | Tricyclic lactams, method for making them, pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1984-03-07 | — | — | EP | disclosed |