Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24361248 | 0.78 | TSHR (0.34) | GAAMAPK1NR1H3SMN1; SMN2TSHR | |
| Fluoride SCHEMBL11736275 | 0.76 | TDP1 (0.34) | TDP1 | |
| SCHEMBL9323503 | 0.76 | FAAH (0.32) | TSHRALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL29544342 | 0.74 | FAAH (0.31) | — | |
| SCHEMBL30400100 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL25283638 | 0.73 | THRB (0.32) | — | |
| SCHEMBL17717444 | 0.72 | TSHR (0.31) | TSHRALDH1A1 | |
| SCHEMBL1784672 | 0.72 | LMNA (0.34) | ALDH1A1 | |
| SCHEMBL30555282 | 0.72 | GAA (0.32) | GAAMAPK1NR1H3SMN1; SMN2TSHR | |
| SCHEMBL9563372 | 0.71 | THRB (0.31) | — |
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-0331367-B1 | Liquid crystal compounds having fluoroalkyl radical | SHOWA SHELL SEKIYU (JP) | 1993-12-08 | — | — | EP | disclosed |
| US-5051527-A | Liquid crystal compounds having fluoroalkyl radical | SHOWA SHELL SEKIYU K.K. (JP) | 1991-09-24 | — | — | US | disclosed |
| EP-0331367-A2 | Liquid crystal compounds having fluoroalkyl radical | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1989-09-06 | — | — | EP | disclosed |