Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27524559 | 0.82 | MAPK1 (0.44) | NPSR1GAAMAPK1CNR2MITF | |
| SCHEMBL7922514 | 0.81 | NQO1 (0.50) | KMT2ACNR2PARP10MEN1ACACB | |
| SCHEMBL9570590 | 0.81 | PTPN5 (0.43) | NPSR1PTPN5ALDH1A3POLBKMT2A | |
| SCHEMBL7922552 | 0.78 | ESR1 (0.39) | NPSR1KMT2AMAPK1CNR2MEN1 | |
| SCHEMBL22435579 | 0.78 | ALDH1A3 (0.42) | NPSR1ALDH1A3POLBKMT2AGAA | |
| SCHEMBL7934891 | 0.78 | ESR1 (0.39) | NPSR1KMT2AMEN1ESR1ESR2 | |
| SCHEMBL7930470 | 0.78 | CYP2C9 (0.47) | KMT2ACNR2MEN1PPARGPPARA | |
| SCHEMBL7931692 | 0.78 | LTA4H (0.47) | — | |
| SCHEMBL27254251 | 0.76 | AOC3 (0.42) | KMT2AMAPK1MEN1ESR1ESR2 | |
| SCHEMBL27254426 | 0.76 | AOC3 (0.42) | KMT2AMAPK1MEN1ESR1ESR2 |
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 |