Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8727009 | 1.00 | CYP2C9 (0.42) | CYP2C9SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL10523484 | 0.96 | CYP2C9 (0.40) | CYP2C9SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL8728053 | 0.84 | ALOX5 (0.38) | SLC6A2SLC6A4SLC6A3SPHK1HTR2A | |
| SCHEMBL8728051 | 0.84 | ALOX5 (0.38) | SLC6A2SLC6A4SLC6A3SPHK1HTR2A | |
| SCHEMBL8728057 | 0.84 | ALOX5 (0.38) | SLC6A2SLC6A4SLC6A3SPHK1HTR2A | |
| SCHEMBL8727521 | 0.84 | SPHK1 (0.40) | ALDH1A1MAPTSPHK1HTT | |
| SCHEMBL8727006 | 0.84 | HTR2A (0.44) | SLC6A2SLC6A4SLC6A3SPHK1HTR2A | |
| SCHEMBL8727598 | 0.82 | SPHK1 (0.39) | SLC6A2SLC6A4SLC6A3SPHK1HTR2A | |
| SCHEMBL8727605 | 0.82 | SPHK1 (0.39) | SLC6A2SLC6A4SLC6A3SPHK1HTR2A | |
| SCHEMBL8727917 | 0.82 | SPHK1 (0.41) | SPHK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |