Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 7/20 | 0.32 |
| ▸ | PPARD | Q03181 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 2/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8462778 | 0.87 | THRA (0.46) | THRATHRB | |
| SCHEMBL7922659 | 0.80 | CYP3A4 (0.31) | CYP3A4CYP2D6 | |
| SCHEMBL7795030 | 0.80 | CYP3A4 (0.34) | CYP3A4CYP2D6 | |
| SCHEMBL8462312 | 0.77 | THRA (0.37) | THRATHRB | |
| SCHEMBL8460075 | 0.74 | THRA (0.37) | THRATHRBCYP2D6CYP11B1CYP11B2 | |
| SCHEMBL8462346 | 0.71 | — | — | |
| SCHEMBL27262426 | 0.71 | CYP3A4 (0.39) | THRATHRBCYP3A4CYP2D6 | |
| SCHEMBL7561859 | 0.67 | CNR2 (0.36) | CYP3A4CYP2D6PTGES | |
| SCHEMBL7928543 | 0.66 | DHODH (0.38) | ATMCYP3A4CYP2D6 | |
| SCHEMBL7792455 | 0.66 | HTR1D (0.37) | THRATHRBCYP3A4CYP2D6 |
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-0944570-A1 | 5,7-DIFLUORO-3,4-DIHYDRO-2H-NAPHTHALENE-1-ONE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998027045-A1 | 5,7-DIFLUORO-3,4-DIHYDRO-2H-NAPHTHALENE-1-ONE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-06-25 | — | — | WO | disclosed |