Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 7/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 7/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20004915 | 0.91 | PDE3B (0.33) | AKR1C3AKR1C2PDE3BPDE3APDE9A | |
| SCHEMBL20006943 | 0.89 | TNKS (0.40) | AKR1C3AKR1C2GRM5PDE3BPDE3A | |
| SCHEMBL20005243 | 0.88 | PDE9A (0.33) | PDE3BPDE3APDE9A | |
| SCHEMBL20005289 | 0.88 | AKR1C3 (0.33) | AKR1C3AKR1C2GRM5PDE3BPDE3A | |
| SCHEMBL20005252 | 0.84 | PDE3B (0.33) | PDE3BPDE3A | |
| SCHEMBL20004795 | 0.84 | GRM5 (0.34) | AKR1C3AKR1C2GRM5PDE3BPDE3A | |
| SCHEMBL20005261 | 0.82 | AKR1C3 (0.30) | AKR1C3AKR1C2 | |
| SCHEMBL19999601 | 0.82 | RARB (0.39) | AKR1C3AKR1C2 | |
| SCHEMBL20005288 | 0.81 | PDE3B (0.32) | AKR1C3AKR1C2PDE3BPDE3A | |
| SCHEMBL20004824 | 0.80 | KDM1A (0.35) | AKR1C3AKR1C2GRM5PDE3BPDE3A |
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-3299439-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-03-28 | — | — | EP | disclosed |