Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11143328 | 0.89 | CYP3A4 (0.53) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL71042 | 0.84 | HSD17B10 (0.63) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8822860 | 0.81 | PTPN1 (0.52) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL35308 | 0.78 | PTPN1 (0.61) | CYP3A4HSD17B10CYP2D6CYP2C9CA2 | |
| SCHEMBL5031178 | 0.76 | CA1 (0.61) | CA2CA1CA4CA6SNCA | |
| SCHEMBL27704406 | 0.76 | PTPN1 (0.41) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL744471 | 0.76 | IDH1 (0.68) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6249245 | 0.74 | CYP3A4 (0.57) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28024927 | 0.74 | CYP3A4 (0.53) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27704410 | 0.74 | ESR1 (0.53) | CYP3A4HSD17B10CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2277936-B1 | Method of preparing polycarbonate resin | LG CHEMICAL LTD (KR) | 2013-03-13 | — | — | EP | disclosed |