Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 11/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.34 |
| ▸ | LSS | P48449 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963175 | 1.00 | SPHK1 (0.39) | SPHK1HDAC2ESR2ESR1CYP3A4 | |
| SCHEMBL8963210 | 0.95 | SPHK1 (0.36) | SPHK1HDAC2ESR2ESR1CYP3A4 | |
| SCHEMBL8962826 | 0.95 | SPHK1 (0.36) | SPHK1HDAC2ESR2ESR1CYP3A4 | |
| SCHEMBL8962835 | 0.95 | SPHK1 (0.36) | SPHK1HDAC2ESR2ESR1CYP3A4 | |
| SCHEMBL8962976 | 0.93 | CYP2C9 (0.40) | SPHK1HDAC2ESR2ESR1CYP3A4 | |
| SCHEMBL8962971 | 0.93 | CYP2C9 (0.40) | SPHK1HDAC2ESR2ESR1CYP3A4 | |
| SCHEMBL8963157 | 0.87 | SPHK1 (0.47) | SPHK1HDAC2DRD2MAOAMAOB | |
| SCHEMBL8963144 | 0.87 | SPHK1 (0.47) | SPHK1HDAC2DRD2MAOAMAOB | |
| SCHEMBL8963019 | 0.86 | HDAC2 (0.45) | HDAC2ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL8963014 | 0.86 | HDAC2 (0.45) | HDAC2ESR2ESR1CYP3A4CYP2C9 |
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 |