Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METTL3 | Q86U44 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL19085999 | 0.90 | TRPV1 (0.41) | ROCK2MAOBNPC1RAB9AKMT2A | |
| SCHEMBL19085981 | 0.90 | TRPV1 (0.41) | ROCK2MAOBNPC1RAB9AKMT2A | |
| SCHEMBL19086169 | 0.90 | METTL3 (0.37) | METTL3ROCK2HDAC6LRRK2MAOB | |
| SCHEMBL19086255 | 0.89 | MEN1 (0.39) | ROCK2LRRK2MAOBNPC1RAB9A | |
| SCHEMBL19085977 | 0.89 | NPC1 (0.45) | ROCK2HDAC6MAOBNPC1RAB9A | |
| SCHEMBL19086166 | 0.87 | HDAC6 (0.36) | METTL3ROCK2HDAC6LRRK2 | |
| SCHEMBL19085978 | 0.87 | ROCK2 (0.46) | ROCK2MAOBNPC1RAB9ATRPV1 | |
| SCHEMBL19085989 | 0.87 | MAOB (0.41) | ROCK2MAOBNPC1RAB9AMAOA | |
| SCHEMBL19086168 | 0.86 | MAOB (0.38) | METTL3ROCK2MAOBRAB9AMAOA | |
| SCHEMBL19086170 | 0.86 | METTL3 (0.36) | METTL3ROCK2HDAC6BTK |
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 |