Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.33 |
| ▸ | CFTR | P13569 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7930470 | 0.86 | CYP2C9 (0.47) | KMT2ASMN1; SMN2ALDH1A1ACACBCYP17A1 | |
| SCHEMBL7922514 | 0.82 | NQO1 (0.50) | KMT2ASMN1; SMN2ALDH1A1ACACBMAPT | |
| SCHEMBL27524559 | 0.77 | MAPK1 (0.44) | HTTALDH1A1CYP17A1CYP2C19MAPT | |
| SCHEMBL1710061 | 0.75 | KMT2A (0.51) | HTTKMT2ASMN1; SMN2ALDH1A1ACACB | |
| SCHEMBL7932193 | 0.74 | NPSR1 (0.40) | KMT2AACACBCYP2C19MAPK1MEN1 | |
| SCHEMBL7934891 | 0.73 | ESR1 (0.39) | KMT2ASMN1; SMN2ALDH1A1MAPTMEN1 | |
| SCHEMBL7922552 | 0.73 | ESR1 (0.39) | HTTKMT2AALDH1A1MAPK1MEN1 | |
| SCHEMBL7931692 | 0.73 | LTA4H (0.47) | HTTSMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL6944585 | 0.72 | HTT (0.47) | HTTKMT2ASMN1; SMN2ALDH1A1ACACB | |
| SCHEMBL7769868 | 0.72 | HTT (0.47) | HTTKMT2ASMN1; SMN2ALDH1A1ACACB |
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 |