Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 3/20 | 0.32 |
| ▸ | ADH1C | P00326 | 3/20 | 0.32 |
| ▸ | ADH1A | P07327 | 3/20 | 0.32 |
| ▸ | ADH7 | P40394 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ADH4 | P08319 | 2/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 2/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722351 | 0.87 | — | — | |
| SCHEMBL8791048 | 0.78 | — | — | |
| SCHEMBL385559 | 0.77 | TSHR (0.40) | TSHRSMN1; SMN2CYP3A4L3MBTL1ADH1B | |
| SCHEMBL17049773 | 0.77 | — | — | |
| SCHEMBL96308 | 0.75 | CYP3A4 (0.55) | TSHRSMN1; SMN2CYP3A4L3MBTL1ATM | |
| SCHEMBL5162461 | 0.75 | TSHR (0.43) | TSHRSMN1; SMN2CYP3A4L3MBTL1ADH1B | |
| SCHEMBL9120387 | 0.75 | TSHR (0.39) | TSHRSMN1; SMN2CYP3A4L3MBTL1ADH1B | |
| SCHEMBL20723704 | 0.75 | TSHR (0.39) | TSHRSMN1; SMN2CYP3A4MAPTCTSK | |
| SCHEMBL3030523 | 0.75 | TSHR (0.39) | TSHRSMN1; SMN2CYP3A4L3MBTL1ADH1B | |
| SCHEMBL3040110 | 0.75 | CYP3A4 (0.41) | TSHRSMN1; SMN2CYP3A4L3MBTL1ADH1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |