Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16709409 | 0.86 | IDO1 (0.42) | RPS6KB1ROCK1IDO1HTTLMNA | |
| SCHEMBL123581 | 0.83 | IDO1 (0.54) | RPS6KB1ROCK1IDO1NPSR1KMT2A | |
| SCHEMBL29030690 | 0.83 | IDO1 (0.42) | RPS6KB1ROCK1IDO1CYP2C9TSHR | |
| SCHEMBL29376679 | 0.83 | IDO1 (0.54) | RPS6KB1ROCK1IDO1NPSR1KMT2A | |
| SCHEMBL29030746 | 0.81 | RPS6KB1 (0.62) | RPS6KB1ROCK1TSHRKMT2ALMNA | |
| SCHEMBL21326485 | 0.78 | IDO1 (0.44) | RPS6KB1ROCK1IDO1NPSR1KMT2A | |
| SCHEMBL22001225 | 0.78 | IDO1 (0.38) | RPS6KB1ROCK1IDO1HTTRPS6KA5 | |
| SCHEMBL29030697 | 0.78 | RPS6KB1 (0.38) | RPS6KB1ROCK1IDO1KMT2ARPS6KA5 | |
| SCHEMBL29043089 | 0.77 | RPS6KB1 (0.42) | RPS6KB1ROCK1IDO1CYP2C9TSHR | |
| SCHEMBL19661056 | 0.77 | PKM (0.39) | RPS6KB1ROCK1IDO1KMT2ALMNA |
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-110343098-B | Oxadiazole compound, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-05-26 | — | — | CN | disclosed |