Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | IDO1 | P14902 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2432440 | 0.77 | KDM4E (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL30260017 | 0.77 | KDM4E (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL16415921 | 0.76 | XDH (0.40) | NPSR1KDM4EALDH1A1PARP1MEN1 | |
| SCHEMBL11561646 | 0.76 | XDH (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL13728856 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRPPARG | |
| SCHEMBL13729659 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRPPARG | |
| SCHEMBL604198 | 0.72 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL9705001 | 0.72 | TRPA1 (0.47) | IDO1MAOAMAOBMEN1KMT2A | |
| SCHEMBL9705002 | 0.72 | TRPA1 (0.47) | IDO1MAOAMAOBMEN1KMT2A | |
| SCHEMBL19632126 | 0.72 | TRPA1 (0.47) | IDO1MAOAMAOBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107954999-B | Oxadiazole ring-containing compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-01-24 | — | — | CN | disclosed |