Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25703553 | 0.89 | HTR7 (0.37) | ESR1ESR2MEN1KMT2ASLC6A2 | |
| SCHEMBL7934891 | 0.84 | ESR1 (0.39) | ESR1ESR2ALDH1A1MEN1KMT2A | |
| SCHEMBL22547666 | 0.83 | ESR1 (0.41) | ESR1ESR2HPGDMEN1KMT2A | |
| SCHEMBL8094239 | 0.82 | AOC3 (0.42) | ESR1ESR2MEN1KMT2AAOC3 | |
| SCHEMBL27254426 | 0.82 | AOC3 (0.42) | ESR1ESR2MEN1KMT2AAOC3 | |
| SCHEMBL27254251 | 0.82 | AOC3 (0.42) | ESR1ESR2MEN1KMT2AAOC3 | |
| SCHEMBL27524559 | 0.81 | MAPK1 (0.44) | ALDH1A1AOC3MITFLMNACNR1 | |
| SCHEMBL7922578 | 0.79 | CES2 (0.34) | ESR1ESR2 | |
| SCHEMBL7922514 | 0.79 | NQO1 (0.50) | ALDH1A1MEN1KMT2ALMNACNR2 | |
| SCHEMBL27254298 | 0.79 | CYP17A1 (0.43) | ESR1ESR2HPGDALDH1A1HTT |
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 |