Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962741 | 1.00 | SPHK1 (0.42) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL8963157 | 0.93 | SPHK1 (0.47) | SPHK1SPHK2MAOAMAOB | |
| SCHEMBL8963144 | 0.93 | SPHK1 (0.47) | SPHK1SPHK2MAOAMAOB | |
| SCHEMBL8962902 | 0.89 | SPHK1 (0.43) | SPHK1SPHK2 | |
| SCHEMBL8962971 | 0.89 | CYP2C9 (0.40) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL8962913 | 0.89 | SPHK1 (0.43) | SPHK1SPHK2 | |
| SCHEMBL8963029 | 0.89 | SPHK1 (0.43) | SPHK1SPHK2MAOAMAOB | |
| SCHEMBL8962976 | 0.89 | CYP2C9 (0.40) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL8963260 | 0.87 | CYP2C9 (0.52) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL9477296 | 0.86 | SPHK1 (0.42) | SPHK1CYP2C9ALDH1A1LMNAMAPT |
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 |