Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 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 SCHEMBL9841667 | 0.91 | ESR2 (0.44) | ESR2NPC1CASP3RAB9ASENP8 | |
| SCHEMBL11190434 | 0.90 | ESR2 (0.54) | ESR2NPC1CASP3RAB9ASENP8 | |
| Fluoride SCHEMBL9841328 | 0.90 | ESR2 (0.43) | ESR2NPC1CASP3RAB9ASENP8 | |
| SCHEMBL11195824 | 0.89 | ESR2 (0.53) | ESR2NPC1CASP3RAB9ASENP8 | |
| Fluoride SCHEMBL9841804 | 0.88 | ESR2 (0.42) | ESR2NPC1CASP3RAB9ASENP8 | |
| Fluoride SCHEMBL9841522 | 0.88 | ESR2 (0.42) | ESR2NPC1CASP3RAB9ASENP8 | |
| Fluoride SCHEMBL9841777 | 0.88 | ESR2 (0.42) | ESR2NPC1CASP3RAB9ASENP8 | |
| Fluoride SCHEMBL9841774 | 0.87 | ESR2 (0.49) | ESR2BACE1 | |
| SCHEMBL11195873 | 0.85 | ESR2 (0.50) | ESR2NPC1CASP3RAB9ASENP8 | |
| Fluoride SCHEMBL9841213 | 0.84 | TLR4 (0.36) | ESR2NPC1CASP3RAB9ASENP8 |
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 |