Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 10/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10780389 | 1.00 | SPHK1 (0.39) | SPHK1SPHK2THRATHRBMAOA | |
| SCHEMBL10776813 | 0.99 | SPHK1 (0.41) | SPHK1SPHK2THRATHRBMAOA | |
| SCHEMBL10776803 | 0.99 | SPHK1 (0.41) | SPHK1SPHK2THRATHRBMAOA | |
| SCHEMBL10780082 | 0.96 | HRH3 (0.38) | SPHK1SPHK2THRATHRBMAOA | |
| SCHEMBL10780076 | 0.96 | HRH3 (0.38) | SPHK1SPHK2THRATHRBMAOA | |
| SCHEMBL9189560 | 0.95 | SPHK1 (0.44) | SPHK1SPHK2THRATHRBHRH3 | |
| SCHEMBL9189563 | 0.95 | SPHK1 (0.44) | SPHK1SPHK2THRATHRBHRH3 | |
| SCHEMBL9191127 | 0.95 | SPHK1 (0.44) | SPHK1SPHK2THRATHRBHRH3 | |
| SCHEMBL9191132 | 0.95 | SPHK1 (0.44) | SPHK1SPHK2THRATHRBHRH3 | |
| SCHEMBL10779700 | 0.93 | MAOB (0.40) | SPHK1SPHK2THRATHRBMAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-4704227-A | DERIVATIVES OF 1,3-DIOXANE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-11-03 | — | — | US | disclosed |
| EP-0154840-A2 | Liquid crystal compounds | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |