Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9512496 | 0.97 | AAK1 (0.38) | ARAAK1GRM5CA12CA2 | |
| SCHEMBL9510222 | 0.90 | ACACB (0.35) | AAK1GRM5CA12CA2CA9 | |
| SCHEMBL9512360 | 0.88 | DRD2 (0.35) | AAK1L3MBTL1TDP1CYP1A2CYP2D6 | |
| SCHEMBL9511393 | 0.87 | ALDH1A1 (0.38) | AAK1L3MBTL1TDP1MAPTKCNH2 | |
| SCHEMBL9508826 | 0.87 | AAK1 (0.36) | AAK1CA12CA2CA9MAPT | |
| SCHEMBL9508737 | 0.86 | CYP2A6 (0.37) | FFAR1 | |
| SCHEMBL9510172 | 0.86 | ALDH1A1 (0.40) | L3MBTL1MAPTKCNH2ALDH1A1HPGD | |
| SCHEMBL9509953 | 0.86 | CYP2D6 (0.37) | AAK1L3MBTL1TDP1CYP1A2CYP2D6 | |
| SCHEMBL21165796 | 0.86 | L3MBTL1 (0.41) | ARAAK1L3MBTL1TDP1CYP1A2 | |
| SCHEMBL9509499 | 0.85 | ALDH1A1 (0.36) | AAK1L3MBTL1CYP2D6MAPTKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | claimed |
| WO-2020248299-A1 | LIQUID CRYSTAL COMPOSITION HAVING NEGATIVE DIELECTRIC CONSTANT, AND APPLICATION THEREOF | 晶美晟光电材料（南京）有限公司 | 2020-12-17 | — | — | WO | disclosed |
| WO-2020034759-A1 | LIQUID CRYSTAL COMPOSITION HAVING HIGH DIELECTRIC CONSTANT AND APPLICATION THEREOF | 晶美晟光电材料（南京）有限公司 | 2020-02-20 | — | — | WO | disclosed |
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |