Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8447550 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2C9APPCNR1CYP2D6 | |
| SCHEMBL8451523 | 0.92 | CYP2C9 (0.38) | CYP3A4CYP2C9APPCNR1CYP2D6 | |
| SCHEMBL8451524 | 0.92 | CYP2C9 (0.38) | CYP3A4CYP2C9APPCNR1CYP2D6 | |
| SCHEMBL8451919 | 0.92 | MAOB (0.40) | CNR1CHKAMCHR1MAOBFFAR4 | |
| SCHEMBL8451924 | 0.92 | MAOB (0.40) | CNR1CHKAMCHR1MAOBFFAR4 | |
| SCHEMBL8455996 | 0.91 | PTGES2 (0.39) | CYP3A4CYP2C9APPCNR1CYP2D6 | |
| SCHEMBL8455992 | 0.91 | PTGES2 (0.39) | CYP3A4CYP2C9APPCNR1CYP2D6 | |
| SCHEMBL8448494 | 0.90 | SPHK1 (0.41) | CYP3A4CYP2C9FFAR4 | |
| SCHEMBL8448499 | 0.90 | SPHK1 (0.41) | CYP3A4CYP2C9FFAR4 | |
| SCHEMBL8455973 | 0.89 | SPHK1 (0.46) | CYP3A4CYP2C9FFAR4 |
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-5858275-A | Chlorobenzene derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0785179-A1 | CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORPORATION (JP) | 1997-07-23 | — | — | EP | disclosed |