Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 17/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 2/20 | 0.49 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20090581 | 1.00 | IDO1 (0.52) | IDO1HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL20090623 | 0.87 | IDO1 (0.53) | IDO1HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL20090679 | 0.87 | IDO1 (0.67) | IDO1HDAC1TDO2IDO2CYP3A4 | |
| SCHEMBL149916 | 0.87 | IDO1 (0.62) | IDO1TDO2 | |
| SCHEMBL29609391 | 0.87 | IDO1 (0.62) | IDO1TDO2 | |
| SCHEMBL16706552 | 0.87 | IDO1 (0.62) | IDO1TDO2 | |
| SCHEMBL149915 | 0.87 | IDO1 (0.62) | IDO1TDO2 | |
| SCHEMBL20090525 | 0.86 | HDAC1 (0.54) | IDO1HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL20090557 | 0.86 | IDO1 (0.59) | IDO1HDAC1TDO2IDO2CYP3A4 | |
| SCHEMBL19503648 | 0.86 | IDO1 (0.56) | IDO1HDAC1HDAC3HDAC4HDAC7 |
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-2018072697-A1 | OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2018-04-26 | — | — | WO | disclosed |