Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2178769 | 0.93 | ALDH1A1 (0.48) | CYP1A2ALDH1A1NOS1NOS2HTT | |
| SCHEMBL10825613 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL22499764 | 0.85 | CYP1A2 (0.46) | CYP1A2ALDH1A1NOS1NOS2POLB | |
| SCHEMBL8461435 | 0.84 | — | — | |
| Alcohol SCHEMBL27522883 | 0.83 | CYP1A2 (0.44) | CYP1A2ALDH1A1NOS1NOS2POLB | |
| SCHEMBL10697801 | 0.82 | — | — | |
| SCHEMBL11727901 | 0.80 | ALDH1A1 (0.56) | CYP1A2ALDH1A1HTTEPHX1PKM | |
| SCHEMBL11691475 | 0.80 | ALDH1A1 (0.56) | CYP1A2ALDH1A1HTTEPHX1PKM | |
| SCHEMBL11810911 | 0.80 | ALDH1A1 (0.56) | CYP1A2ALDH1A1HTTEPHX1PKM | |
| SCHEMBL12173955 | 0.79 | CYP1A2 (0.46) | CYP1A2ALDH1A1NOS1NOS2POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-113088294-A | Liquid-crystalline medium, liquid-crystal display comprising same and compound | 默克专利股份有限公司 | 2021-07-09 | — | — | CN | disclosed |
| EP-0438575-A1 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. | MERCK PATENT GMBH (DE) | 1991-07-31 | — | — | EP | disclosed |
| WO-1991002710-A2 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-07 | — | — | WO | disclosed |
| WO-1991002780-A1 | 2,5-DISUBSTITUTED HETEROCYCLES AND MESOMORPHOUS MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-07 | — | — | WO | disclosed |