Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14219431 | 0.91 | PDPK1 (0.40) | CYP17A1CYP11B1CYP11B2PDPK1ESR1 | |
| SCHEMBL14219554 | 0.90 | PDPK1 (0.40) | CYP17A1CYP11B1CYP11B2PDPK1ESR1 | |
| SCHEMBL14219895 | 0.90 | PDPK1 (0.40) | CYP17A1CYP11B1CYP11B2PDPK1ESR1 | |
| SCHEMBL14219884 | 0.88 | AKR1C3 (0.41) | ESR1ESR2ACP3TAAR1ADRB1 | |
| SCHEMBL14220334 | 0.88 | AKR1C3 (0.41) | ESR1ESR2ACP3TAAR1ADRB1 | |
| SCHEMBL14219358 | 0.85 | ACP3 (0.40) | ESR1ESR2ACP3TAAR1ADRB1 | |
| SCHEMBL14219299 | 0.85 | ACP3 (0.40) | ESR1ESR2ACP3TAAR1ADRB1 | |
| SCHEMBL5164670 | 0.84 | KIF11 (0.55) | CYP11B1CYP11B2ACP3 | |
| SCHEMBL5164663 | 0.84 | KIF11 (0.55) | CYP11B1CYP11B2ACP3 | |
| SCHEMBL14219955 | 0.83 | POLB (0.48) | ESR1ESR2ACP3TAAR1ADRB1 |
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 |