Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2942285 | 0.85 | LIPG (0.48) | GABRA1GABRB2LIPGKDM4EALDH1A1 | |
| SCHEMBL2362466 | 0.82 | GABRA1 (0.61) | GABRA1GABRB2AKR1B1KDM4EALDH1A1 | |
| SCHEMBL29900352 | 0.82 | GABRA1 (0.61) | GABRA1GABRB2AKR1B1KDM4EALDH1A1 | |
| SCHEMBL12539475 | 0.77 | LIPG (0.48) | GABRA1GABRB2LIPGCYP2D6 | |
| SCHEMBL7233310 | 0.76 | GABRA1 (0.61) | GABRA1GABRB2AKR1B1KDM4EALDH1A1 | |
| SCHEMBL5136984 | 0.76 | GABRA1 (0.47) | GABRA1GABRB2AKR1B1LIPGKDM4E | |
| SCHEMBL4966104 | 0.76 | GABRA1 (0.60) | GABRA1GABRB2AKR1B1KDM4EALDH1A1 | |
| Phenol SCHEMBL28941280 | 0.76 | GABRA1 (0.60) | GABRA1GABRB2AKR1B1KDM4EALDH1A1 | |
| SCHEMBL910658 | 0.76 | ENPP2 (0.50) | LIPG | |
| SCHEMBL5961795 | 0.76 | GABRA1 (0.50) | GABRA1GABRB2AKR1B1KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109679666-A | Liquid-crystal compounds and preparation method thereof, liquid-crystal composition and microwave communication device | 武汉轻工大学 | 2019-04-26 | — | — | CN | disclosed |