Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | ACR | P10323 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28046616 | 0.86 | PARP1 (0.47) | CDC7ROCK2ROCK1ACRCHEK2 | |
| SCHEMBL28046664 | 0.86 | MAP4K4 (0.46) | CASP1CHEK2NUDT1 | |
| SCHEMBL28046684 | 0.83 | KMO (0.44) | CASP1ROCK2ROCK1NUDT1 | |
| SCHEMBL28046610 | 0.82 | ROCK2 (0.54) | CASP1LMNAROCK2ROCK1 | |
| SCHEMBL28046613 | 0.81 | CDK5 (0.41) | ROCK2ROCK1CHEK2 | |
| SCHEMBL28046667 | 0.81 | KMO (0.42) | CHEK2NUDT1 | |
| SCHEMBL28046677 | 0.81 | ALPL (0.45) | ROCK2ROCK1CHEK2 | |
| SCHEMBL28046611 | 0.79 | MAPT (0.54) | RXFP1MCL1ROCK2ROCK1 | |
| SCHEMBL30988404 | 0.78 | ROCK2 (0.58) | ROCK2ROCK1 | |
| SCHEMBL28046612 | 0.77 | DHODH (0.46) | CDC7ROCK2ROCK1NUDT1 |
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-105294688-A | 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof | UNIV BEIJING TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |