Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.66 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.66 |
| ▸ | SHBG | P04278 | 1/20 | 0.66 |
| ▸ | APP | P05067 | 3/20 | 0.54 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.51 |
| ▸ | PTGES | O14684 | 1/20 | 0.51 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3930549 | 0.81 | ESR1 (0.74) | ESR1ESR2SHBGAPPPTGES | |
| SCHEMBL9138143 | 0.79 | SHBG (1.00) | ESR1ESR2SHBGAPPCALCRL | |
| SCHEMBL29941531 | 0.79 | ESR1 (1.00) | ESR1ESR2SHBGAPPCALCRL | |
| SCHEMBL3922677 | 0.79 | ESR1 (1.00) | ESR1ESR2SHBGAPPCALCRL | |
| SCHEMBL30176923 | 0.77 | SHBG (0.80) | ESR1ESR2SHBGAPPCALCRL | |
| SCHEMBL734501 | 0.77 | SHBG (0.80) | ESR1ESR2SHBGAPPCALCRL | |
| SCHEMBL733973 | 0.77 | SHBG (0.80) | ESR1ESR2SHBGAPPCALCRL | |
| SCHEMBL734509 | 0.77 | ESR1 (0.80) | ESR1ESR2SHBGAPPPTGES | |
| SCHEMBL734470 | 0.77 | ESR1 (0.80) | ESR1ESR2SHBGAPPPTGES | |
| SCHEMBL28618420 | 0.76 | TYR (0.40) | ESR1ESR2SHBGAPPCALCRL |
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-109181712-B | Benzofuran liquid crystal compound with difluoromethyl ether bridge bond and composition thereof | 西安近代化学研究所 | 2021-08-20 | — | — | CN | disclosed |