Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.36 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11176757 | 0.83 | ESR1 (0.50) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL199386 | 0.82 | CYP2C19 (0.61) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL10051863 | 0.82 | GABRA1 (0.52) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL13609095 | 0.82 | GABRA1 (0.52) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL948481 | 0.82 | ALOX15 (0.61) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL3656530 | 0.80 | ALOX15 (0.59) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL12445107 | 0.80 | ESR1 (0.41) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL5573025 | 0.78 | GABRA1 (0.48) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL11180556 | 0.77 | GABRA1 (0.39) | GABRA1GABRB2ESR1ESR2CYP2C19 | |
| SCHEMBL226013 | 0.77 | ESR1 (0.64) | ESR1ESR2CYP2C19CYP2C9CYP1A2 |
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-6114487-A | COATING AGENT, MOLDING MATERIAL, IMPROVED MOLD RELEASE | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2000-09-05 | — | — | US | disclosed |