Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7663737 | 1.00 | NR5A1 (0.51) | NR5A1LTA4HALDH2ESR1ADRA2A | |
| SCHEMBL7663742 | 1.00 | NR5A1 (0.51) | NR5A1LTA4HALDH2ESR1ADRA2A | |
| SCHEMBL6936741 | 1.00 | NR5A1 (0.51) | NR5A1LTA4HALDH2ESR1ADRA2A | |
| SCHEMBL9137436 | 0.95 | NR5A1 (0.56) | NR5A1LTA4HALDH2ESR1ADRA2A | |
| SCHEMBL7784197 | 0.95 | NR5A1 (0.56) | NR5A1LTA4HALDH2ESR1ADRA2A | |
| SCHEMBL6934319 | 0.95 | NR5A1 (0.56) | NR5A1LTA4HALDH2ESR1ADRA2A | |
| SCHEMBL7773685 | 0.95 | NR5A1 (0.56) | NR5A1LTA4HALDH2ESR1ADRA2A | |
| SCHEMBL9584542 | 0.94 | NR5A1 (0.53) | NR5A1LTA4HESR1ADRA2AADORA3 | |
| SCHEMBL7769925 | 0.94 | NR5A1 (0.53) | NR5A1LTA4HESR1ADRA2AADORA3 | |
| SCHEMBL7775241 | 0.92 | RARB (0.41) | NR5A1ALDH1A1KDM4ELMNATP53 |
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-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |