Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | JAK2 | O60674 | 2/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30163154 | 0.85 | ROCK2 (0.56) | NPC1RAB9AJAK2JAK1KDM4E | |
| SCHEMBL29218214 | 0.85 | ROCK2 (0.56) | NPC1RAB9AJAK2JAK1KDM4E | |
| SCHEMBL24934134 | 0.79 | ROCK2 (0.44) | NPC1KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL30163209 | 0.77 | ROCK2 (0.48) | RAB9AKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL29218289 | 0.76 | NPC1 (0.46) | NPC1RAB9AJAK2JAK1 | |
| SCHEMBL30162997 | 0.76 | NPC1 (0.46) | NPC1RAB9AJAK2JAK1 | |
| SCHEMBL29218185 | 0.75 | ROCK2 (0.51) | NPC1RAB9AMEN1KMT2AJAK3 | |
| SCHEMBL30163061 | 0.75 | ROCK2 (0.51) | NPC1RAB9AMEN1KMT2AJAK3 | |
| SCHEMBL24934284 | 0.74 | ROCK2 (0.55) | NPC1MEN1KMT2A | |
| SCHEMBL29218231 | 0.73 | ROCK1 (0.44) | ALDH1A1MAPT |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |