Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 4/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.34 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.34 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5722671 | 0.92 | HTR1D (0.37) | HTR1DHTR1BLTA4HCYP3A4CYP2C8 | |
| SCHEMBL7795030 | 0.86 | CYP3A4 (0.34) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL7796242 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL26941769 | 0.80 | CYP3A4 (0.32) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL7796282 | 0.80 | CYP3A4 (0.30) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL26941740 | 0.79 | CYP3A4 (0.30) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL26371233 | 0.79 | CYP3A4 (0.32) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL7930592 | 0.78 | LTA4H (0.35) | HTR1DHTR1BLTA4HRARBRARA | |
| SCHEMBL8462778 | 0.78 | THRA (0.46) | LTA4HS1PR3RARBRARATHRA | |
| SCHEMBL7669115 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 |
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 |