Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9841467 | 1.00 | SCN9A (0.37) | SCN9ANR5A1TP53NPC1RAB9A | |
| SCHEMBL9841282 | 1.00 | SCN9A (0.37) | SCN9ANR5A1TP53NPC1RAB9A | |
| SCHEMBL9841333 | 0.99 | SCN9A (0.38) | SCN9ANR5A1TP53NPC1RAB9A | |
| SCHEMBL9842044 | 0.94 | SCN9A (0.34) | SCN9ANR5A1TP53NPC1RAB9A | |
| SCHEMBL9841890 | 0.83 | NQO1 (0.32) | HSD11B1HSD11B2CYP4F2CYP4A11 | |
| Fluoride SCHEMBL9841564 | 0.81 | SCN9A (0.38) | SCN9ANR5A1TP53NPC1RAB9A | |
| Fluoride SCHEMBL9841466 | 0.81 | SCN9A (0.38) | SCN9ANR5A1TP53NPC1RAB9A | |
| Fluoride SCHEMBL9841281 | 0.81 | SCN9A (0.38) | SCN9ANR5A1TP53NPC1RAB9A | |
| SCHEMBL9841595 | 0.79 | HSD11B1 (0.37) | STSHSD11B1HSD11B2 | |
| Fluoride SCHEMBL9841332 | 0.79 | SCN9A (0.39) | SCN9ANR5A1TP53LTA4HSTS |
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 |