Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9739571 | 0.89 | PTGS2 (0.34) | PTGS2PTGS1PDE3BPDE3ADAPK3 | |
| SCHEMBL9739575 | 0.89 | PTGS2 (0.34) | PTGS2PTGS1PDE3BPDE3ADAPK3 | |
| SCHEMBL9740605 | 0.78 | HMGCR (0.42) | — | |
| SCHEMBL9740609 | 0.78 | HMGCR (0.42) | — | |
| SCHEMBL9738812 | 0.76 | — | — | |
| SCHEMBL9740333 | 0.76 | HMGCR (0.37) | — | |
| SCHEMBL9740330 | 0.76 | HMGCR (0.37) | — | |
| SCHEMBL9857503 | 0.74 | PTGS2 (0.43) | PTGS2PTGS1DAPK3NTRK1PIM1 | |
| SCHEMBL9857896 | 0.70 | PTGS2 (0.39) | PTGS2PTGS1AKR1C3AKR1C2MEN1 | |
| SCHEMBL9739956 | 0.68 | GPR55 (0.36) | PTGS2PTGS1MAPK14 |
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-5110825-A | Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A; anticholesterol, antilipemic, antiatherosclerotic | SHIONOGI & CO., LTD. (JP) | 1992-05-05 | — | — | US | disclosed |