Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 8/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL18388326 | 1.00 | PDE3B (0.36) | PDE3BPDE3APTGS2PTGS1CYP3A4 | |
| SCHEMBL18411542 | 1.00 | PDE3B (0.36) | PDE3BPDE3APTGS2PTGS1CYP3A4 | |
| SCHEMBL11957397 | 0.76 | FASN (0.35) | CYP3A4CYP2C9APPKDM1ACYP2D6 | |
| SCHEMBL13083626 | 0.73 | CYP3A4 (0.55) | PDE3BPDE3APTGS2CYP3A4CYP2C9 | |
| SCHEMBL21182766 | 0.73 | PDE3B (0.39) | PDE3BPDE3APTGS2PTGS1CYP3A4 | |
| SCHEMBL2741531 | 0.71 | FASN (0.47) | PDE3BPDE3APTGS2PTGS1CYP3A4 | |
| SCHEMBL91987 | 0.71 | FASN (0.47) | PDE3BPDE3APTGS2PTGS1CYP3A4 | |
| SCHEMBL13408581 | 0.70 | FASN (0.46) | PDE3BPDE3APTGS2PTGS1CYP3A4 | |
| SCHEMBL15451573 | 0.70 | HTR2A (0.34) | CYP3A4CYP2C9CYP2C19HTR2AHTR2C | |
| SCHEMBL14173388 | 0.70 | APP (0.47) | PDE3BPDE3APTGS2PTGS1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604481-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2020-02-05 | — | — | EP | disclosed |