Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | HSPB1 | P04792 | 4/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CCNK | O75909 | 1/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.34 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20442999 | 0.83 | ROCK2 (0.46) | BRD4ROCK2METTRPA1CCNK | |
| SCHEMBL28643992 | 0.83 | ROCK2 (0.43) | BRD4ROCK2METTRPA1CCNK | |
| SCHEMBL20443302 | 0.83 | BRD4 (0.41) | BRD4ROCK2METTRPA1CCNK | |
| SCHEMBL20443319 | 0.82 | ROCK2 (0.40) | BRD4ROCK2METTRPA1CCNK | |
| SCHEMBL20443297 | 0.81 | ROCK2 (0.40) | BRD4ROCK2METTRPA1CCNK | |
| SCHEMBL29548670 | 0.81 | HSPB1 (0.45) | S1PR4AMY1AHSPB1LMNAKMT2A | |
| SCHEMBL28721761 | 0.81 | HSPB1 (0.45) | S1PR4AMY1AHSPB1LMNAKMT2A | |
| SCHEMBL20443013 | 0.79 | ROCK2 (0.39) | BRD4ROCK2METTRPA1CCNK | |
| SCHEMBL20442994 | 0.79 | BRD4 (0.53) | BRD4 | |
| SCHEMBL20442995 | 0.78 | ROCK2 (0.41) | BRD4ROCK2METTRPA1CCNK |
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 |
|---|---|---|---|---|---|---|---|
| CN-110198941-B | Pyrrolopyridine N-oxide derivative and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-09-28 | — | — | CN | disclosed |
| WO-2018137655-A1 | PYRROLO-PYRIDINES N-OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-08-02 | — | — | WO | disclosed |