Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.55 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784603 | 1.00 | SPHK1 (0.55) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL7794113 | 0.95 | SPHK1 (0.59) | SPHK1SPHK2ALDH1A1LMNA | |
| SCHEMBL7794110 | 0.95 | SPHK1 (0.59) | SPHK1SPHK2ALDH1A1LMNA | |
| SCHEMBL7790568 | 0.93 | SPHK1 (0.52) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL7790570 | 0.93 | SPHK1 (0.52) | SPHK1SPHK2CYP2C9ESR2ALDH1A1 | |
| SCHEMBL7794126 | 0.92 | SPHK1 (0.53) | SPHK1SPHK2CYP2C9 | |
| SCHEMBL7794129 | 0.92 | SPHK1 (0.53) | SPHK1SPHK2CYP2C9 | |
| SCHEMBL9313308 | 0.92 | SPHK1 (0.50) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL9313302 | 0.92 | SPHK1 (0.50) | SPHK1SPHK2CYP2C9ALDH1A1LMNA | |
| SCHEMBL7793493 | 0.91 | SPHK1 (0.55) | SPHK1SPHK2 |
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-1150937-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | QinetiQ Limited (GB) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000039062-A1 | LIQUID CRYSTALLINE TRIFLUORO-SUBSTITUTED COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-07-06 | — | — | WO | disclosed |