Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.42 |
| ▸ | BRAF | P15056 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 5/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 5/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL19085990 | 0.90 | BRAF (0.40) | EGFRBRAFKMT2ASMOHCRTR2 | |
| SCHEMBL19086159 | 0.90 | CDK8 (0.40) | EGFRBRAFKMT2AHCRTR2PRMT5 | |
| SCHEMBL19085999 | 0.84 | TRPV1 (0.41) | KMT2ASMOHCRTR2PRMT5WDR77 | |
| SCHEMBL19085981 | 0.84 | TRPV1 (0.41) | KMT2ASMOHCRTR2PRMT5WDR77 | |
| SCHEMBL19086240 | 0.84 | EGFR (0.43) | EGFRBRAFSMOACKR3PRMT5 | |
| SCHEMBL19087012 | 0.83 | HCRTR2 (0.39) | KMT2ASMOHCRTR2PRMT5WDR77 | |
| SCHEMBL19086001 | 0.79 | JAK2 (0.40) | KMT2AHCRTR2PRMT5WDR77NAMPT | |
| SCHEMBL19085998 | 0.78 | PRMT5 (0.39) | SMOPRMT5WDR77HDAC6 | |
| SCHEMBL19085977 | 0.77 | NPC1 (0.45) | KMT2APRMT5WDR77HDAC6NAMPT | |
| SCHEMBL19086014 | 0.77 | ADORA1 (0.47) | KMT2AHCRTR2PRMT5WDR77HDAC6 |
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 |