Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9841615 | 1.00 | GAA (0.34) | GAAMAPTESR2CYP3A4CYP2C8 | |
| Fluoride SCHEMBL9841265 | 0.99 | ESR2 (0.33) | GAAMAPTESR2CYP3A4CYP2C8 | |
| Fluoride SCHEMBL9841717 | 0.95 | ESR2 (0.34) | ESR2CYP1A2 | |
| SCHEMBL11154305 | 0.91 | ESR2 (0.38) | GAAMAPTESR2CYP3A4CYP2C8 | |
| SCHEMBL11068233 | 0.91 | ESR2 (0.38) | GAAMAPTESR2CYP3A4CYP2C8 | |
| Fluoride SCHEMBL9841213 | 0.90 | TLR4 (0.36) | ESR2CYP2C9 | |
| Fluoride SCHEMBL9841804 | 0.86 | ESR2 (0.42) | GAAMAPTESR2CYP3A4CYP2C8 | |
| Fluoride SCHEMBL9841777 | 0.86 | ESR2 (0.42) | GAAMAPTESR2CYP3A4CYP2C8 | |
| Fluoride SCHEMBL9841522 | 0.86 | ESR2 (0.42) | GAAMAPTESR2CYP3A4CYP2C8 | |
| SCHEMBL10892623 | 0.85 | ESR2 (0.34) | GAAMAPTESR2MEN1KMT2A |
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-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |