Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL9763825 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9764284 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9764066 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9764321 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9764292 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9763821 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9763816 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9764286 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9764020 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9764013 | 1.00 | CYP3A4 (0.36) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 |
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-5032313-A | Trifluorobenzene derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1991-07-16 | — | — | US | disclosed |
| EP-0387032-A1 | Trifluorobenzene derivatives and liquid crystal compositions containing the same | Chisso Corporation (JP) | 1990-09-12 | — | — | EP | disclosed |