Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 11/20 | 0.39 |
| ▸ | BACE1 | P56817 | 3/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9313632 | 1.00 | SPHK1 (0.39) | SPHK1BACE1FFAR4HTR2CSPHK2 | |
| SCHEMBL21298929 | 0.90 | SPHK1 (0.46) | SPHK1FFAR4SPHK2 | |
| SCHEMBL9763138 | 0.87 | SPHK1 (0.47) | SPHK1SPHK2 | |
| SCHEMBL9763141 | 0.87 | SPHK1 (0.47) | SPHK1SPHK2 | |
| SCHEMBL9314307 | 0.87 | SPHK1 (0.41) | SPHK1FFAR4HTR2CSPHK2 | |
| SCHEMBL9314315 | 0.87 | SPHK1 (0.41) | SPHK1FFAR4HTR2CSPHK2 | |
| SCHEMBL9314535 | 0.83 | SPHK1 (0.42) | SPHK1FFAR4SPHK2 | |
| SCHEMBL9314526 | 0.83 | SPHK1 (0.42) | SPHK1FFAR4SPHK2 | |
| SCHEMBL9313373 | 0.83 | ESR2 (0.49) | SPHK1HTR2CSPHK2 | |
| SCHEMBL9313379 | 0.83 | ESR2 (0.49) | SPHK1HTR2CSPHK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0425622-B1 | MESOGENIC COMPOUNDS | MERCK PATENT GMBH (DE) | 1994-10-12 | — | — | EP | disclosed |
| US-5308537-A | Unsaturated liquid crystal compounds containing trifluoromethyl groups | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-05-03 | — | — | US | disclosed |
| WO-1990013610-A1 | MESOGENIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-15 | — | — | WO | disclosed |