Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL7922552 | 0.79 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL9570786 | 0.78 | CES2 (0.40) | CES2CES1SHBGESR1ESR2 | |
| SCHEMBL7931678 | 0.77 | AOC3 (0.39) | CES2CES1 | |
| SCHEMBL13953551 | 0.77 | ESR1 (0.39) | CES2CES1SHBGESR1ESR2 | |
| SCHEMBL18927431 | 0.76 | PDPK1 (0.40) | CES2CES1SHBGPDPK1AKR1C3 | |
| SCHEMBL7934891 | 0.76 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL19853074 | 0.74 | SHBG (0.39) | CES2CES1SHBGESR1ESR2 | |
| SCHEMBL16960903 | 0.74 | PDPK1 (0.36) | CES2CES1SHBGPDPK1MME | |
| SCHEMBL27254426 | 0.73 | AOC3 (0.42) | ESR1ESR2 | |
| SCHEMBL27254251 | 0.73 | AOC3 (0.42) | ESR1ESR2 |
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 |