Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9458444 | 1.00 | SPHK1 (0.42) | SPHK1ESR2SPHK2CYP2C9ESR1 | |
| SCHEMBL9222271 | 0.88 | SPHK1 (0.47) | SPHK1SPHK2CYP2C9 | |
| SCHEMBL9222275 | 0.88 | SPHK1 (0.47) | SPHK1SPHK2CYP2C9 | |
| SCHEMBL7912579 | 0.87 | SPHK1 (0.36) | SPHK1ESR2SPHK2 | |
| SCHEMBL7912583 | 0.87 | SPHK1 (0.36) | SPHK1ESR2SPHK2 | |
| SCHEMBL9482570 | 0.87 | CYP2C9 (0.40) | SPHK1ESR2SPHK2CYP2C9ESR1 | |
| SCHEMBL9482576 | 0.87 | CYP2C9 (0.40) | SPHK1ESR2SPHK2CYP2C9ESR1 | |
| SCHEMBL9480875 | 0.86 | SPHK1 (0.43) | SPHK1ESR2SPHK2CYP2C9 | |
| SCHEMBL9480882 | 0.86 | SPHK1 (0.43) | SPHK1ESR2SPHK2CYP2C9 | |
| SCHEMBL7912792 | 0.86 | SPHK1 (0.40) | SPHK1ESR2SPHK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5238602-A | Electrooptical cells | HOFFMANN LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0168683-A2 | Liquid crystals with alkenyl or alkenyloxy groups | F. HOFFMANN-LA ROCHE AG (CH) | 1986-01-22 | — | — | EP | disclosed |