Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7790568 | 1.00 | SPHK1 (0.52) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL7790506 | 0.96 | SPHK1 (0.49) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL7790508 | 0.96 | SPHK1 (0.49) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL7784597 | 0.93 | SPHK1 (0.55) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL7784603 | 0.93 | SPHK1 (0.55) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL7794113 | 0.91 | SPHK1 (0.59) | SPHK1SPHK2ALDH1A1LMNA | |
| SCHEMBL7794110 | 0.91 | SPHK1 (0.59) | SPHK1SPHK2ALDH1A1LMNA | |
| SCHEMBL9314809 | 0.90 | CYP2C9 (0.51) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL9314801 | 0.90 | CYP2C9 (0.51) | SPHK1CYP2C9SPHK2ALDH1A1LMNA | |
| SCHEMBL10567048 | 0.90 | SPHK1 (0.62) | SPHK1CYP2C9SPHK2ALDH1A1LMNA |
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 |