Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.43 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9476615 | 1.00 | RARB (0.49) | RARBCYP3A4CYP2D6NR5A1CYP1A2 | |
| SCHEMBL9477491 | 0.98 | RARB (0.51) | RARBCYP3A4CYP2D6NR5A1CYP1A2 | |
| SCHEMBL9477473 | 0.98 | RARB (0.51) | RARBCYP3A4CYP2D6NR5A1CYP1A2 | |
| SCHEMBL9476718 | 0.97 | CYP2D6 (0.51) | RARBCYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL9476732 | 0.97 | CYP2D6 (0.51) | RARBCYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL9479529 | 0.91 | CYP3A4 (0.44) | RARBCYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL9479520 | 0.91 | CYP3A4 (0.44) | RARBCYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL9476546 | 0.85 | CYP3A4 (0.48) | RARBCYP3A4CYP2D6NR5A1CYP1A2 | |
| SCHEMBL9476540 | 0.85 | CYP3A4 (0.48) | RARBCYP3A4CYP2D6NR5A1CYP1A2 | |
| SCHEMBL9477104 | 0.84 | CYP3A4 (0.50) | RARBCYP3A4CYP2D6NR5A1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0377469-B1 | A LIQUID CRYSTALLINE COMPOUND | CHISSO CORPORATION (JP) | 1993-10-06 | — | — | EP | disclosed |
| US-5183587-A | LIQUID CRYSTALLINE COMPOUND | CHISSO CORPORATION (JP) | 1993-02-02 | — | — | US | disclosed |
| EP-0377469-A1 | A liquid crystalline compound | CHISSO CORPORATION (JP) | 1990-07-11 | — | — | EP | disclosed |