Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL21115686 | 0.76 | — | — | |
| SCHEMBL20813897 | 0.70 | — | — | |
| SCHEMBL24828784 | 0.66 | CYP2A6 (0.45) | CYP2A6CYP1A2LMNATDP1KCNH2 | |
| SCHEMBL3677920 | 0.64 | CYP2A6 (0.56) | CYP2A6CYP1A2TDP1 | |
| SCHEMBL18627004 | 0.64 | KDM4E (0.46) | CYP2A6CYP1A2LMNATDP1 | |
| SCHEMBL18745591 | 0.64 | ALOX5 (0.40) | CYP2A6CYP1A2HRH3ACHETDP1 | |
| SCHEMBL18594794 | 0.64 | CYP2A6 (0.38) | CYP2A6CYP1A2HRH3ACHELMNA | |
| SCHEMBL12628596 | 0.63 | CYP2A6 (0.54) | CYP2A6CYP1A2LMNATDP1MAPT | |
| SCHEMBL17208904 | 0.62 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1MAPTKCNH2 | |
| SCHEMBL3403193 | 0.62 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019030150-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2019-02-14 | — | — | WO | disclosed |
| WO-2019030153-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2019-02-14 | — | — | WO | disclosed |
| WO-2018104279-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-06-14 | — | — | WO | disclosed |
| WO-2018050573-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |