Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 8/20 | 0.46 |
| ▸ | PDE4A | P27815 | 4/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4960119 | 0.88 | CYP17A1 (0.37) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4958557 | 0.86 | TNF (0.44) | TNFCYP17A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4959314 | 0.82 | SLC6A2 (0.37) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL4957281 | 0.82 | SLC6A3 (0.56) | TNFCYP17A1CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4958346 | 0.82 | AOC3 (0.38) | TNFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4957523 | 0.82 | CYP1A2 (0.37) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL4958049 | 0.81 | SLC6A2 (0.57) | TNFCYP17A1CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL4962287 | 0.81 | CYP17A1 (0.36) | CYP17A1CYP2C9CYP2C19ALDH1A1SLC6A2 | |
| SCHEMBL4958071 | 0.81 | CYP19A1 (0.51) | CYP17A1CYP2C9CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL4957486 | 0.80 | CYP1A2 (0.51) | CYP2C19SLC6A2SLC6A4SLC6A3KDM4E |
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 |