Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 3/20 | 0.41 |
| ▸ | MGLL | Q99685 | 4/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17847695 | 0.88 | CA2 (0.46) | CA2CA1STSMGLLHTR1A | |
| SCHEMBL7930478 | 0.84 | CA2 (0.50) | CA2CA1STS | |
| SCHEMBL22666338 | 0.83 | CA2 (0.49) | CA2CA1STS | |
| SCHEMBL2829918 | 0.82 | CA2 (0.49) | CA2CA1STSHTR1AHTR1D | |
| SCHEMBL27454463 | 0.81 | CA2 (0.47) | CA2CA1STSHTR1AHTR1D | |
| SCHEMBL6941010 | 0.80 | PPARA (0.51) | CA2CA1STSHTR1AHTR1D | |
| SCHEMBL8552231 | 0.79 | RARB (0.52) | CA2STS | |
| SCHEMBL5909071 | 0.79 | CA2 (0.42) | CA2CA1HTR1AHTR1DHTR1B | |
| SCHEMBL26619697 | 0.78 | HTR1A (0.52) | CA2CA1HTR1AHTR1DHTR1B | |
| SCHEMBL7771915 | 0.78 | CA2 (0.44) | CA2CA1STSHTR1AHTR1D |
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 |