Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18467407 | 0.78 | POLB (0.47) | POLBACACBGAACYP1A2CYP2D6 | |
| SCHEMBL7932193 | 0.76 | NPSR1 (0.40) | POLBACACBGAACYP1A2CYP2D6 | |
| SCHEMBL6196209 | 0.75 | POLB (0.55) | POLBACACBGAACYP1A2CYP2D6 | |
| SCHEMBL13003657 | 0.71 | POLB (0.50) | POLBACACBGAACYP1A2CYP2D6 | |
| SCHEMBL7903010 | 0.70 | POLB (0.53) | POLBACACBGAACYP1A2CYP2D6 | |
| SCHEMBL7929129 | 0.70 | POLB (0.42) | POLBACACBGAACYP1A2CYP2D6 | |
| SCHEMBL805120 | 0.69 | POLB (0.57) | POLBGAACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12313578 | 0.69 | SLC6A4 (0.68) | SLC6A4 | |
| SCHEMBL9906579 | 0.69 | POLB (0.52) | POLBACACBGAACYP1A2CYP2D6 | |
| SCHEMBL12190892 | 0.69 | POLB (0.52) | POLBACACBGAACYP1A2CYP2D6 |
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 |