Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL17614844 | 0.87 | TLR4 (0.34) | CYP1A2 | |
| SCHEMBL9313306 | 0.85 | CYP1A2 (0.42) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9312870 | 0.84 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9313867 | 0.84 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL9315037 | 0.84 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL17614842 | 0.84 | CYP1A2 (0.41) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10707112 | 0.82 | CYP1A2 (0.54) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10346759 | 0.82 | CYP1A2 (0.54) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10346757 | 0.82 | CYP1A2 (0.54) | CYP1A2PKMHTTLMNAMAPK1 | |
| SCHEMBL10486181 | 0.80 | CYP1A2 (0.52) | CYP1A2PKMHTTLMNAMAPK1 |
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-0742275-B1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORP (JP) | 2002-03-20 | — | — | EP | disclosed |
| US-5779936-A | FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE | CHISSO CORPORATION (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0742275-A1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORPORATION (JP) | 1996-11-13 | — | — | EP | disclosed |