Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9841638 | 0.89 | SPHK1 (0.35) | ESR2 | |
| Fluoride SCHEMBL9841688 | 0.87 | SPHK1 (0.42) | — | |
| Fluoride SCHEMBL9841590 | 0.86 | SPHK1 (0.47) | — | |
| Fluoride SCHEMBL9841819 | 0.85 | SPHK1 (0.49) | — | |
| Fluoride SCHEMBL9841514 | 0.85 | SPHK1 (0.49) | — | |
| Fluoride SCHEMBL9841694 | 0.85 | SPHK1 (0.49) | — | |
| SCHEMBL9841760 | 0.81 | ESR2 (0.32) | ESR2ALDH1A1 | |
| Fluoride SCHEMBL9841984 | 0.78 | SPHK1 (0.42) | ESR2 | |
| SCHEMBL11166462 | 0.74 | SPHK1 (0.36) | ESR2ALDH1A1TDP1 | |
| SCHEMBL13378557 | 0.74 | — | — |
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 |