Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155708 | 1.00 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL7767689 | 0.95 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL7767692 | 0.95 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL6748514 | 0.91 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL8014247 | 0.91 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL9552909 | 0.89 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL7909688 | 0.88 | CYP1A2 (0.46) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL10569484 | 0.87 | CYP1A2 (0.62) | CYP1A2HTTLMNAMAPK1PKM | |
| SCHEMBL183947 | 0.87 | — | — | |
| SCHEMBL11124019 | 0.87 | CYP1A2 (0.62) | CYP1A2HTTLMNAMAPK1PKM |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0410233-B1 | (4-Arylbutyl) cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 1995-11-15 | — | — | EP | disclosed |
| US-5411676-A | Ferroelectric electrooptical indicators | HOFFMANN-LA ROCHE INC. (US) | 1995-05-02 | — | — | US | disclosed |
| US-5346647-A | Cyclohexane compounds used in liquid crystalline mixtures | HOFFMANN-LA ROCHE INC. (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| EP-0415220-B1 | Chiral doping agents for liquid crystals | HOFFMANN LA ROCHE (CH) | 1994-02-02 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| US-5093027-A | CHIRAL DOPANTS FOR LIQUID CRYSTALLINE MIXTURES | HOFFMANN-LA ROCHE INC. (US) | 1992-03-03 | — | — | US | disclosed |
| EP-0415220-A2 | Chiral doping agents for liquid crystals | F. HOFFMANN-LA ROCHE AG (CH) | 1991-03-06 | — | — | EP | disclosed |
| EP-0410233-A2 | (4-Arylbutyl) cyclohexane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-30 | — | — | EP | disclosed |
| EP-0344557-A2 | Liquid crystal components with a trimethylenoxy group | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-06 | — | — | EP | disclosed |