Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.34 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8945167 | 0.89 | ESR2 (0.41) | SPHK1ESR2CYP3A4SLC5A1SLC5A2 | |
| SCHEMBL8945176 | 0.88 | EPHX2 (0.43) | SPHK1ALDH1A1 | |
| SCHEMBL8945207 | 0.87 | CYP2C9 (0.47) | SPHK1ESR2SPHK2CYP3A4SLC5A1 | |
| SCHEMBL8766641 | 0.82 | ALDH1A1 (0.31) | CYP3A4ALDH1A1 | |
| SCHEMBL8945151 | 0.81 | ESR2 (0.44) | SPHK1ESR2CYP3A4SLC5A1SLC5A2 | |
| SCHEMBL8945422 | 0.80 | ESR2 (0.42) | SPHK1ESR2CYP3A4SLC5A1SLC5A2 | |
| SCHEMBL1100722 | 0.80 | ALDH1A1 (0.47) | CYP3A4ALDH1A1 | |
| SCHEMBL8093485 | 0.78 | ALDH1A1 (0.43) | CYP3A4ALDH1A1 | |
| SCHEMBL8945103 | 0.78 | SPHK1 (0.37) | SPHK1ESR2SPHK2CYP3A4SLC5A1 | |
| SCHEMBL8945024 | 0.78 | CYP2C9 (0.51) | SPHK1ESR2CYP3A4SLC5A1SLC5A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5501884-A | Diamino compounds and their production method and liquid crystal alignment layers using the compounds | CHISSO CORPORATION (JP) | 1996-03-26 | — | — | US | disclosed |