Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 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 | |
|---|---|---|---|---|
| SCHEMBL7345733 | 0.91 | CYP2A6 (0.46) | TYMSCES1PDE3BPDE3APDE4A | |
| SCHEMBL7347685 | 0.85 | PDE3B (0.45) | TYMSCES1PDE3BPDE3APDE4A | |
| SCHEMBL7342347 | 0.81 | CES1 (0.44) | TYMSCES1SRD5A1PDPK1PARP1 | |
| SCHEMBL7336897 | 0.81 | CES1 (0.44) | TYMSCES1SRD5A1PDPK1PARP1 | |
| SCHEMBL7347975 | 0.80 | TYMS (0.51) | TYMSPDE3BPDE3APDE4APDE4B | |
| SCHEMBL7339006 | 0.80 | NOTUM (0.44) | TYMSCES1SRD5A1PARP1SRD5A2 | |
| SCHEMBL7345932 | 0.79 | CES1 (0.40) | TYMSCES1SRD5A1PDPK1PARP1 | |
| SCHEMBL7342355 | 0.79 | CES1 (0.40) | TYMSCES1SRD5A1PDPK1PARP1 | |
| SCHEMBL7338490 | 0.79 | AURKB (0.44) | TYMSPDE3BPDE3APDE4APDE4B | |
| SCHEMBL7340881 | 0.78 | KDM4E (0.54) | CES1SRD5A1SRD5A2KDM4ENPC1 |
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-4511569-A | Tricyclic lactams and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-04-16 | — | — | US | disclosed |