Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 12/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9253086 | 1.00 | SPHK1 (0.43) | SPHK1FFAR4HTR2AHTR2CSPHK2 | |
| SCHEMBL9260196 | 0.96 | SPHK1 (0.45) | SPHK1FFAR4HTR2AHTR2CSPHK2 | |
| SCHEMBL9260205 | 0.96 | SPHK1 (0.45) | SPHK1FFAR4HTR2AHTR2CSPHK2 | |
| SCHEMBL9251014 | 0.88 | HTR2A (0.44) | SPHK1FFAR4HTR2AHTR2C | |
| SCHEMBL9251006 | 0.88 | HTR2A (0.44) | SPHK1FFAR4HTR2AHTR2C | |
| SCHEMBL11158665 | 0.87 | SPHK1 (0.51) | SPHK1SPHK2 | |
| SCHEMBL11158662 | 0.87 | SPHK1 (0.51) | SPHK1SPHK2 | |
| SCHEMBL9228294 | 0.86 | SPHK1 (0.35) | SPHK1HTR2AHTR2CSPHK2 | |
| SCHEMBL9228300 | 0.86 | SPHK1 (0.35) | SPHK1HTR2AHTR2CSPHK2 | |
| SCHEMBL9399567 | 0.86 | SPHK1 (0.49) | SPHK1HTR2ASPHK2 |
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-1995009829-A1 | 2,4-DIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-04-13 | — | — | WO | disclosed |