Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 4/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566113 | 1.00 | SCD (0.53) | SCDNAMPTHDAC1NPC1ALDH1A1 | |
| SCHEMBL13930230 | 0.89 | SCD (0.47) | SCDNAMPTHDAC1NPC1ALDH1A1 | |
| SCHEMBL13930054 | 0.89 | SCD (0.45) | SCDNAMPTHDAC1ALDH1A1KDM4E | |
| SCHEMBL13930603 | 0.84 | SCD (0.54) | SCDNAMPTHDAC1NPC1ALDH1A1 | |
| SCHEMBL13930226 | 0.83 | SCD (0.45) | SCDNAMPTHDAC1NPC1ALDH1A1 | |
| SCHEMBL4556849 | 0.75 | SCD (0.48) | SCDNAMPTHDAC1NPC1ALDH1A1 | |
| SCHEMBL652193 | 0.72 | HDAC1 (0.71) | HDAC1 | |
| SCHEMBL652192 | 0.72 | HDAC1 (0.71) | HDAC1 | |
| SCHEMBL4139827 | 0.71 | SCD (0.51) | SCDNAMPTHDAC1NPC1ALDH1A1 | |
| SCHEMBL3670314 | 0.70 | SCD (0.63) | SCDNAMPTNPC1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009037542-A2 | SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-03-26 | — | — | WO | disclosed |
| WO-2009037542-A2 | SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-03-26 | — | — | WO | disclosed |