Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9567574 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL9196274 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL9198792 | 0.86 | HSP90AA1 (0.53) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL9195001 | 0.85 | HSP90AA1 (0.40) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL9203493 | 0.83 | ALDH1A1 (0.49) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL9197165 | 0.83 | HSP90AA1 (0.38) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL9087421 | 0.82 | CYP3A4 (0.52) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL10595423 | 0.82 | CYP3A4 (0.43) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL10594041 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 | |
| SCHEMBL10594681 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9THRBSLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431968-B1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | SANKYO CO (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5134152-A | 1,2,4-Triazole compounds | SANKYO COMPANY, LIMITED (JP) | 1992-07-28 | — | — | US | disclosed |
| EP-0431968-A1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | Sankyo Company Limited (JP) | 1991-06-12 | — | — | EP | disclosed |