Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.38 |
| ▸ | SMO | Q99835 | 2/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 7/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 7/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL19085981 | 0.91 | TRPV1 (0.41) | DDR1KMT2AHCRTR2SMOPRMT5 | |
| SCHEMBL19085999 | 0.91 | TRPV1 (0.41) | DDR1KMT2AHCRTR2SMOPRMT5 | |
| SCHEMBL19086005 | 0.90 | EGFR (0.42) | BRAFKMT2AHCRTR2SMOPRMT5 | |
| SCHEMBL19085998 | 0.84 | PRMT5 (0.39) | SMOPRMT5WDR77HDAC6 | |
| SCHEMBL19087012 | 0.84 | HCRTR2 (0.39) | KMT2AHCRTR2SMOPRMT5WDR77 | |
| SCHEMBL19085977 | 0.84 | NPC1 (0.45) | KMT2APRMT5WDR77HDAC6NAMPT | |
| SCHEMBL19085978 | 0.83 | ROCK2 (0.46) | PRMT5WDR77 | |
| SCHEMBL19085989 | 0.83 | MAOB (0.41) | — | |
| SCHEMBL19085988 | 0.83 | HCRTR2 (0.40) | HCRTR2SMOPRMT5WDR77HCRTR1 | |
| SCHEMBL19086255 | 0.83 | MEN1 (0.39) | KMT2A |
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 |