Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 3/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | RARB | P10826 | 5/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28580248 | 1.00 | THRA (0.54) | THRATHRBRARBESR1ADRA2A | |
| SCHEMBL28575328 | 0.95 | POLB (0.50) | THRATHRBRARBESR1ADRA2A | |
| SCHEMBL28575326 | 0.95 | POLB (0.50) | THRATHRBRARBESR1ADRA2A | |
| SCHEMBL12189959 | 0.91 | ESR1 (0.59) | THRATHRBRARBESR1ADRA2A | |
| SCHEMBL10005524 | 0.89 | ESR1 (0.62) | THRATHRBRARBESR1ADRA2A | |
| SCHEMBL8448322 | 0.87 | POLB (0.62) | THRATHRBESR1ALDH1A1KDM4E | |
| SCHEMBL8448323 | 0.87 | POLB (0.62) | THRATHRBESR1ALDH1A1KDM4E | |
| SCHEMBL1815390 | 0.85 | ESR1 (0.59) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9422407 | 0.84 | ESR1 (0.52) | THRATHRBRARBESR1ADRA2A | |
| SCHEMBL21321834 | 0.84 | ESR1 (0.72) | THRATHRBRARBESR1ADRA2A |
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-109762576-B | Liquid crystal compound, liquid crystal composition and application thereof | 武汉轻工大学 | 2021-06-29 | — | — | CN | disclosed |