Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 12/20 | 0.36 |
| ▸ | PPOX | P50336 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.32 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 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 | |
|---|---|---|---|---|
| SCHEMBL8598609 | 0.89 | PPOX (0.42) | SCN9APPOXALDH1A1NPC1RAB9A | |
| SCHEMBL8601482 | 0.85 | PPOX (0.41) | PPOXALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL8599002 | 0.81 | SCN9A (0.34) | SCN9APPOXNPC1RAB9A | |
| SCHEMBL8603212 | 0.80 | SCN9A (0.39) | SCN9APPOXNPC1RAB9APTGDR2 | |
| SCHEMBL8602421 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MAPTNPSR1 | |
| SCHEMBL9770905 | 0.78 | NAAA (0.39) | SCN9ANPC1RAB9ALMNAMAPT | |
| SCHEMBL8601518 | 0.77 | PPOX (0.45) | SCN9APPOXNPC1RAB9ALMNA | |
| SCHEMBL8600359 | 0.77 | PPOX (0.42) | SCN9APPOX | |
| SCHEMBL8600411 | 0.77 | RORC (0.32) | — | |
| SCHEMBL8603023 | 0.74 | NPC1 (0.33) | NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626370-B1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL CO (JP) | 1998-02-11 | — | — | EP | disclosed |
| EP-0626370-A1 | Process for producing aromatic isothiocyanate derivatives | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-11-30 | — | — | EP | disclosed |