Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | BRAF | P15056 | 4/20 | 0.43 |
| ▸ | KDM1A | O60341 | 4/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 5/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | FES | P07332 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | ROS1 | P08922 | 1/20 | 0.39 |
| ▸ | FER | P16591 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086005 | 0.84 | EGFR (0.42) | EGFRBRAFNAMPTHDAC6PRMT5 | |
| SCHEMBL19087013 | 0.82 | KDM1A (0.46) | KDM1AHDAC6PRMT5WDR77HTT | |
| SCHEMBL19086347 | 0.77 | KDM1A (0.46) | KDM1ANAMPTHDAC6PRMT5WDR77 | |
| SCHEMBL19086230 | 0.75 | MAOB (0.44) | MAP4K4ROCK1STK17A | |
| SCHEMBL19086176 | 0.75 | KDM1A (0.51) | KDM1AHDAC6PRMT5WDR77SMN1; SMN2 | |
| SCHEMBL19086210 | 0.74 | KDM1A (0.40) | KDM1AHDAC6PRMT5WDR77HTT | |
| SCHEMBL19085990 | 0.74 | BRAF (0.40) | EGFRBRAFNAMPTHDAC6PRMT5 | |
| SCHEMBL19086183 | 0.73 | KDM1A (0.40) | KDM1AHDAC6MAP4K4ROCK1MKNK2 | |
| SCHEMBL19086159 | 0.73 | CDK8 (0.40) | EGFRBRAFHDAC6PRMT5WDR77 | |
| SCHEMBL19086026 | 0.71 | METTL3 (0.44) | KDM1AHDAC6PRMT5WDR77HTT |
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-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |