Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL10798685 | 0.77 | LMNA (0.40) | ALDH1A1CYP2D6CYP3A4KCNN4LMNA | |
| SCHEMBL7686100 | 0.70 | LMNA (0.42) | ALDH1A1CYP2D6CYP3A4KCNN4LMNA | |
| SCHEMBL10268267 | 0.70 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2D6CYP3A4TACR1 | |
| SCHEMBL10660143 | 0.69 | LMNA (0.42) | TSHRCYP2D6CYP3A4LMNAEDNRB | |
| SCHEMBL8043313 | 0.69 | L3MBTL1 (0.36) | ALDH1A1TSHRCYP2D6CYP3A4KCNN4 | |
| SCHEMBL28684616 | 0.67 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| Trifluoromethylbenzene SCHEMBL6666870 | 0.66 | TSHR (0.64) | ALDH1A1TSHRCYP2D6CYP3A4TACR1 | |
| SCHEMBL379267 | 0.65 | KCNN4 (0.43) | ALDH1A1TSHRCYP2D6CYP3A4KCNN4 | |
| SCHEMBL2350021 | 0.65 | KIF11 (0.56) | ALDH1A1KCNN4MAPK1KIF11 | |
| SCHEMBL7053535 | 0.65 | KCNN4 (0.43) | ALDH1A1TSHRCYP2D6CYP3A4KCNN4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37087-E1 | 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |