Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.38 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | 1.00 | TRPV1 (0.41) | TRPV1ROCK2ROCK1DDR1NPC1 | |
| SCHEMBL19085977 | 0.93 | NPC1 (0.45) | ROCK2ROCK1NPC1RAB9AMAOB | |
| SCHEMBL19085989 | 0.92 | MAOB (0.41) | ROCK2ROCK1NPC1RAB9AMAOA | |
| SCHEMBL19085978 | 0.92 | ROCK2 (0.46) | TRPV1ROCK2ROCK1NPC1RAB9A | |
| SCHEMBL19085990 | 0.91 | BRAF (0.40) | DDR1PRMT5WDR77KMT2AHCRTR2 | |
| SCHEMBL19085998 | 0.90 | PRMT5 (0.39) | TRPV1NPC1RAB9AJAK2PRMT5 | |
| SCHEMBL19085987 | 0.90 | KDM1A (0.41) | ROCK2ROCK1NPC1RAB9AJAK2 | |
| SCHEMBL19086167 | 0.90 | METTL3 (0.37) | TRPV1ROCK2NPC1RAB9AMAOA | |
| SCHEMBL19086255 | 0.90 | MEN1 (0.39) | TRPV1ROCK2ROCK1NPC1RAB9A | |
| SCHEMBL19085984 | 0.90 | ROCK2 (0.42) | ROCK2ROCK1MAOBPRMT5WDR77 |
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 |