Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1691370 | 0.85 | RAF1 (0.43) | RAF1KCNH2HDAC8HDAC6HDAC3 | |
| Hydrochloric Acid SCHEMBL1691580 | 0.84 | RAF1 (0.42) | RAF1KCNH2HDAC8HDAC6HDAC3 | |
| SCHEMBL13930230 | 0.75 | SCD (0.47) | KCNH2HDAC8HDAC6HDAC1SCD | |
| SCHEMBL1691479 | 0.74 | HSD11B1 (0.48) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL1691266 | 0.74 | HDAC8 (0.42) | RAF1KCNH2HDAC8HDAC6HDAC3 | |
| SCHEMBL1691279 | 0.74 | TRPM8 (0.42) | KCNH2 | |
| SCHEMBL14918958 | 0.73 | HSD11B1 (0.59) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL4275441 | 0.73 | HDAC8 (0.57) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL1690972 | 0.72 | TRPM8 (0.48) | KCNH2 | |
| SCHEMBL29920633 | 0.71 | HSD11B1 (0.48) | HDAC8HDAC6HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414366-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | Novartis AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112520-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | NOVARTIS AG (CH) | 2010-10-07 | — | — | WO | disclosed |