Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TST | Q16762 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8527886 | 1.00 | CYP3A4 (0.47) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8531678 | 0.98 | ESR1 (0.50) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8528729 | 0.98 | ESR1 (0.50) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8531682 | 0.98 | ESR1 (0.50) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8528727 | 0.98 | ESR1 (0.50) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8528499 | 0.98 | ESR1 (0.48) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8528502 | 0.98 | ESR1 (0.48) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8527722 | 0.96 | ESR1 (0.52) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8531342 | 0.96 | ESR1 (0.52) | CYP3A4ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8532500 | 0.96 | ESR1 (0.52) | CYP3A4ESR1ADRA2AADORA3TACR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733610-B1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | CHISSO CORP (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5635108-A | A HEXYNEDIENE DERIVATIVE | CHISSO CORPORATION (JP) | 1997-06-03 | — | — | US | disclosed |
| EP-0733610-A1 | Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device | Chisso Corporation (JP) | 1996-09-25 | — | — | EP | disclosed |