Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14219295 | 1.00 | POLB (0.48) | POLBESR1ESR2CYP19A1CYP3A4 | |
| SCHEMBL14219885 | 0.95 | POLB (0.51) | POLBESR1ESR2CYP19A1CYP3A4 | |
| SCHEMBL14219378 | 0.95 | POLB (0.51) | POLBESR1ESR2CYP19A1CYP3A4 | |
| SCHEMBL14219563 | 0.95 | POLB (0.51) | POLBESR1ESR2CYP19A1CYP3A4 | |
| SCHEMBL5165903 | 0.88 | ESR1 (0.43) | POLBESR1ESR2ACP3TAAR1 | |
| SCHEMBL5165913 | 0.88 | ESR1 (0.43) | POLBESR1ESR2ACP3TAAR1 | |
| SCHEMBL15627637 | 0.87 | ESR1 (0.52) | POLBESR1ESR2CYP19A1CYP2D6 | |
| SCHEMBL9069704 | 0.84 | ESR1 (0.61) | ESR1ESR2TRPA1TAAR1SLC6A2 | |
| SCHEMBL14219429 | 0.83 | CYP17A1 (0.44) | ESR1ESR2ACP3TAAR1ADRB1 | |
| Ammonia Solution, Strong SCHEMBL7267232 | 0.83 | ESR1 (0.61) | POLBESR1ESR2CYP2C9TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1650285-B1 | Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element | SEIMI CHEM KK (JP) | 2008-04-30 | — | — | EP | disclosed |