Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 6/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8599861 | 1.00 | NPC1 (0.36) | NPC1TAAR1PPOXMAOAGAA | |
| SCHEMBL8601896 | 1.00 | NPC1 (0.36) | NPC1TAAR1PPOXMAOAGAA | |
| SCHEMBL8358490 | 0.81 | PPOX (0.48) | PPOXGAAHTR2CHTR2B | |
| SCHEMBL6408609 | 0.80 | ADRA2A (0.40) | NPC1PPOXMAOAGAA | |
| SCHEMBL8599602 | 0.78 | PPOX (0.45) | NPC1PPOXMAOAGAAHTR2C | |
| SCHEMBL17543904 | 0.77 | HTR2C (0.44) | NPC1MAOAHTR2CHTR2BGLA | |
| SCHEMBL8604315 | 0.76 | CSNK2A1 (0.49) | NPC1PPOXMAOAGAAGLA | |
| SCHEMBL9872059 | 0.76 | NPC1 (0.43) | NPC1TAAR1PPOXMAOAGAA | |
| SCHEMBL8603158 | 0.75 | — | — | |
| SCHEMBL8599601 | 0.75 | — | — |
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 |