Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 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 | |
|---|---|---|---|---|
| SCHEMBL91694 | 0.79 | ESR1 (0.43) | ESR1ESR2ABL1HSD17B1HSD17B2 | |
| SCHEMBL13347764 | 0.79 | ACHE (0.50) | ESR1ESR2CYP1A2CYP2A6ABL1 | |
| SCHEMBL18673225 | 0.75 | HDAC1 (0.42) | ESR1ESR2 | |
| SCHEMBL13104728 | 0.74 | NISCH (0.46) | ESR1ESR2ERN1 | |
| SCHEMBL26548124 | 0.73 | PGR (0.55) | ESR1ESR2CYP1A2CYP2A6ABL1 | |
| SCHEMBL26548510 | 0.73 | PGR (0.55) | ESR1ESR2CYP1A2CYP2A6ABL1 | |
| SCHEMBL27325025 | 0.72 | PTGS2 (0.43) | ESR1ESR2HSD17B1HSD17B2ERN1 | |
| SCHEMBL26566338 | 0.72 | ACHE (0.59) | ESR1ESR2CYP1A2CYP2A6PGR | |
| SCHEMBL13629814 | 0.72 | ACHE (0.59) | ESR1ESR2CYP1A2CYP2A6PGR | |
| SCHEMBL30366405 | 0.72 | CYP1A2 (0.77) | CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |