Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 4/20 | 0.37 |
| ▸ | BRAF | P15056 | 4/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 6/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL19086005 | 0.90 | EGFR (0.42) | CDK8HDAC6EGFRBRAFPRMT5 | |
| SCHEMBL19085990 | 0.80 | BRAF (0.40) | HDAC6EGFRBRAFPRMT5WDR77 | |
| SCHEMBL19086160 | 0.76 | HDAC6 (0.38) | HDAC6PRMT5WDR77 | |
| SCHEMBL19086038 | 0.75 | PRMT5 (0.39) | HDAC6PRMT5WDR77 | |
| SCHEMBL19086153 | 0.74 | KMT2A (0.49) | PRMT5WDR77KMT2AHCRTR2 | |
| SCHEMBL19086054 | 0.74 | ROCK2 (0.41) | HDAC6PRMT5WDR77 | |
| SCHEMBL19086147 | 0.74 | ROCK2 (0.37) | HDAC6PRMT5WDR77KMT2AHCRTR2 | |
| SCHEMBL19086039 | 0.74 | PRMT5 (0.39) | HDAC6PRMT5WDR77 | |
| SCHEMBL19085999 | 0.74 | TRPV1 (0.41) | PRMT5WDR77KMT2AHCRTR2 | |
| SCHEMBL19086162 | 0.74 | KMT2A (0.40) | HDAC6PRMT5WDR77KMT2AHCRTR2 |
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 |