Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10779700 | 1.00 | MAOB (0.40) | MAOBMAOACYP2C9ALOX5ALDH1A1 | |
| SCHEMBL10775489 | 0.96 | MAOB (0.37) | MAOBMAOACYP2C9ALOX5ALDH1A1 | |
| SCHEMBL10775484 | 0.96 | MAOB (0.37) | MAOBMAOACYP2C9ALOX5ALDH1A1 | |
| SCHEMBL10780076 | 0.94 | HRH3 (0.38) | MAOBMAOACYP2C9ALOX5ALDH1A1 | |
| SCHEMBL10780082 | 0.94 | HRH3 (0.38) | MAOBMAOACYP2C9ALOX5ALDH1A1 | |
| SCHEMBL10780396 | 0.93 | SPHK1 (0.39) | MAOBMAOACYP2C9ALOX5HRH3 | |
| SCHEMBL10780389 | 0.93 | SPHK1 (0.39) | MAOBMAOACYP2C9ALOX5HRH3 | |
| SCHEMBL10776803 | 0.92 | SPHK1 (0.41) | MAOBMAOASPHK1SPHK2THRA | |
| SCHEMBL10776813 | 0.92 | SPHK1 (0.41) | MAOBMAOASPHK1SPHK2THRA | |
| SCHEMBL9191442 | 0.90 | SPHK1 (0.40) | CYP2C9HRH3SPHK1SPHK2THRA |
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-4704227-A | DERIVATIVES OF 1,3-DIOXANE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-11-03 | — | — | US | disclosed |