Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9250662 | 1.00 | SPHK1 (0.39) | SPHK1SPHK2CYP2C9ESR1CYP3A4 | |
| SCHEMBL9249485 | 0.90 | CYP2C9 (0.45) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL9249478 | 0.90 | CYP2C9 (0.45) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL9249398 | 0.88 | SPHK1 (0.38) | SPHK1SPHK2CYP2C9ESR1CYP3A4 | |
| SCHEMBL9253328 | 0.87 | SPHK1 (0.44) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL9253333 | 0.87 | SPHK1 (0.44) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL9247199 | 0.86 | SPHK1 (0.46) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL9247206 | 0.86 | SPHK1 (0.46) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL9251014 | 0.83 | HTR2A (0.44) | SPHK1DGAT1 | |
| SCHEMBL9251006 | 0.83 | HTR2A (0.44) | SPHK1DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995010496-A1 | 2,3,4-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-04-20 | — | — | WO | disclosed |