Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL29906674 | 0.85 | EPHX1 (0.44) | EPHX1 | |
| Trifluoromethanesulfonic Acid SCHEMBL31492422 | 0.81 | PTGS1 (0.38) | PTGS1PDE4AALDH1A1L3MBTL1CA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28652199 | 0.80 | ALDH1A1 (0.38) | PTGS1PDE4AALDH1A1L3MBTL1CA1 | |
| Sulfuric Acid SCHEMBL20472274 | 0.78 | PTGS1 (0.50) | PTGS1PDE4ACA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL39465 | 0.78 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL295 | 0.78 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3507077 | 0.78 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3950101 | 0.78 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL29906672 | 0.76 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1CA1CA2CA7 | |
| Trifluoromethanesulfonic Acid SCHEMBL25287607 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9365771-B2 | Liquid crystal compounds containing a difluoromethyleneoxy linking group that hydrogen substituted by deuterium, their preparation and application | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-06-14 | — | — | US | disclosed |
| US-20140312276-A1 | LIQUID CRYSTAL COMPOUNDS CONTAINING A DIFLUOROMETHYLENEOXY LINKING GROUP THAT HYDROGEN SUBSTITUTED BY DEUTERIUM, THEIR PREPARATION AND APPLICATION | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2014-10-23 | — | — | US | disclosed |