Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9232886 | 1.00 | SMYD2 (0.34) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL16147772 | 0.85 | CYP3A4 (0.32) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL5026307 | 0.85 | CYP3A4 (0.32) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL705925 | 0.84 | RIPK1 (0.34) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL7503724 | 0.81 | ALDH1A1 (0.38) | CYP3A4HTTSMN1; SMN2AOC3SLC6A3 | |
| SCHEMBL29086735 | 0.81 | CYP3A4 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL7354376 | 0.81 | CYP3A4 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL17491817 | 0.81 | ALDH1A1 (0.38) | RIPK1AOC3SLC6A3SLC6A4ALDH1A1 | |
| SCHEMBL28549734 | 0.81 | CYP3A4 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 | |
| SCHEMBL19513655 | 0.81 | CYP3A4 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2RIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013124826-A1 | OXAZOLIDIN- 2 -ONE COMPOUNDS AND USES THEREOF AS PI3KS INHIBITORS | NOVARTIS AG (CH) | 2013-08-29 | — | — | WO | disclosed |