Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 3/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | SPNS2 | Q8IVW8 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.30 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL7796242 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL7669115 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL5722701 | 0.80 | RARB (0.33) | RARBRARARARGSPNS2SPHK1 | |
| SCHEMBL5722671 | 0.79 | HTR1D (0.37) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL5722759 | 0.76 | CYP3A4 (0.32) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL7795028 | 0.72 | CYP3A4 (0.30) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL7792455 | 0.71 | HTR1D (0.37) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL5722716 | 0.71 | CYP3A4 (0.42) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL5722703 | 0.71 | RARB (0.39) | CYP3A4RARBRARARARGSPNS2 | |
| SCHEMBL11140235 | 0.70 | S1PR3 (0.59) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1028944-B1 | FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2006-01-11 | — | — | EP | disclosed |
| US-6491989-B1 | 6,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,1,6,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,6,7-TRIFLUORONAPHTHALENE DERIVATIVES AND 2,3-DIFLUORONAPHTHALENE DERIVATIVES | AVENTIS RESEACH & TECHNOLOGIES GMBH & CO. KG (DE) | 2002-12-10 | — | — | US | disclosed |