Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.38 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744015 | 1.00 | SPHK1 (0.42) | SPHK1BCHESPHK2ASIC3CYP2C9 | |
| SCHEMBL9742339 | 0.97 | SPHK1 (0.44) | SPHK1BCHESPHK2ASIC3 | |
| SCHEMBL9744227 | 0.97 | SPHK1 (0.47) | SPHK1BCHESPHK2ASIC3 | |
| SCHEMBL9742344 | 0.97 | SPHK1 (0.44) | SPHK1BCHESPHK2ASIC3 | |
| SCHEMBL9744219 | 0.97 | SPHK1 (0.47) | SPHK1BCHESPHK2ASIC3 | |
| SCHEMBL9744068 | 0.95 | SPHK1 (0.49) | SPHK1BCHESPHK2ASIC3 | |
| SCHEMBL9742441 | 0.95 | SPHK1 (0.46) | SPHK1BCHESPHK2CYP2C9 | |
| SCHEMBL9743916 | 0.95 | SPHK1 (0.49) | SPHK1BCHESPHK2ASIC3 | |
| SCHEMBL9742982 | 0.95 | SPHK1 (0.49) | SPHK1BCHESPHK2ASIC3 | |
| SCHEMBL9744080 | 0.95 | SPHK1 (0.46) | SPHK1BCHESPHK2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5084204-A | Naphthylacetylenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-01-28 | — | — | US | disclosed |