Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | F2R | P25116 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8962971 | 1.00 | CYP2C9 (0.40) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL8963182 | 0.93 | SPHK1 (0.39) | CYP2C9ESR2ESR1CYP3A4SPHK1 | |
| SCHEMBL8963175 | 0.93 | SPHK1 (0.39) | CYP2C9ESR2ESR1CYP3A4SPHK1 | |
| SCHEMBL8962741 | 0.89 | SPHK1 (0.42) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL8962744 | 0.89 | SPHK1 (0.42) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL8962835 | 0.88 | SPHK1 (0.36) | CYP2C9ESR2ALDH1A1MAPTMEN1 | |
| SCHEMBL8963210 | 0.88 | SPHK1 (0.36) | CYP2C9ESR2ESR1CYP3A4SPHK1 | |
| SCHEMBL8962826 | 0.88 | SPHK1 (0.36) | CYP2C9ESR2ALDH1A1MAPTMEN1 | |
| SCHEMBL8963260 | 0.87 | CYP2C9 (0.52) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL9477806 | 0.86 | CYP2C9 (0.40) | CYP2C9ESR2ALDH1A1LMNAMAPT |
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-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |