Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.34 |
| ▸ | FKBP5 | Q13451 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4959372 | 0.88 | TNF (0.46) | CYP17A1CYP2C9CYP2C19KDM4ELMNA | |
| SCHEMBL4958557 | 0.81 | TNF (0.44) | CYP17A1CYP2C9CYP2C19KDM4ELMNA | |
| SCHEMBL4957486 | 0.78 | CYP1A2 (0.51) | CYP2C19KDM4ELMNACYP1A2SMN1; SMN2 | |
| SCHEMBL4958071 | 0.76 | CYP19A1 (0.51) | CYP17A1CYP2C9CYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL4959914 | 0.75 | SLC6A2 (0.40) | CYP17A1CYP2C9CYP2C19LMNACYP1A2 | |
| SCHEMBL4959908 | 0.75 | ALDH1A1 (0.35) | CYP17A1CYP2C9CYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL4957281 | 0.75 | SLC6A3 (0.56) | CYP17A1CYP2C9CYP2C19LMNACYP1A2 | |
| SCHEMBL4959314 | 0.75 | SLC6A2 (0.37) | CYP17A1CYP2C9CYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL4962094 | 0.75 | SLC6A2 (0.32) | CYP17A1CYP2C9CYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL4958049 | 0.74 | SLC6A2 (0.57) | CYP17A1CYP2C9CYP2C19CYP1A2SMN1; SMN2 |
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-1879873-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK Holdings Co., Ltd. (KR) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006112685-A1 | NEUROTHERAPEUTIC AZOLE COMPOUNDS | SK HOLDINGS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |