Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL7796282 | 0.87 | CYP3A4 (0.30) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7935195 | 0.80 | — | — | |
| SCHEMBL5722759 | 0.77 | CYP3A4 (0.32) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7793664 | 0.73 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5722758 | 0.72 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5722716 | 0.70 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7795030 | 0.70 | CYP3A4 (0.34) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7669115 | 0.69 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7792455 | 0.69 | HTR1D (0.37) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7796242 | 0.68 | CYP3A4 (0.43) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946476-B1 | 5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE THEREOF IN LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2001-11-21 | — | — | EP | disclosed |
| US-6159392-A | 5,7-difluoro-1,2,3,4-tetrahydronaphthalene derivatives and their use thereof in liquid crystal mixtures | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2000-12-12 | — | — | US | disclosed |
| EP-0946476-A1 | 5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE THEREOF IN LIQUID CRYSTAL MIXTURES | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998027042-A1 | 5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE THEREOF IN LIQUID CRYSTAL MIXTURES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1998-06-25 | — | — | WO | disclosed |