Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | HTR1D | P28221 | 2/20 | 0.31 |
| ▸ | HTR1B | P28222 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22248433 | 0.87 | ROCK2 (0.42) | ROCK2KCNH2SIGMAR1OPRM1HTR1A | |
| SCHEMBL22248946 | 0.81 | ROCK2 (0.46) | ROCK2KCNH2SIGMAR1OPRM1HTR1A | |
| SCHEMBL22248421 | 0.80 | ROCK2 (0.34) | ROCK2SIGMAR1OPRM1HTR1AMCHR1 | |
| SCHEMBL22254573 | 0.79 | ROCK2 (0.49) | ROCK2KCNH2HTR1ANOS3NOS1 | |
| SCHEMBL22249185 | 0.79 | ROCK2 (0.45) | ROCK2KCNH2OPRM1HTR1ANOS3 | |
| SCHEMBL22248658 | 0.78 | ROCK2 (0.45) | ROCK2KCNH2SIGMAR1OPRM1NOS3 | |
| SCHEMBL22248931 | 0.78 | ROCK2 (0.41) | ROCK2SIGMAR1NOS3NOS1L3MBTL3 | |
| SCHEMBL22254568 | 0.77 | ROCK2 (0.47) | ROCK2KCNH2SIGMAR1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL30276407 | 0.77 | ROCK2 (0.32) | ROCK2SIGMAR1OPRM1 | |
| SCHEMBL25532044 | 0.76 | ROCK2 (0.52) | ROCK2KCNH2SIGMAR1L3MBTL3L3MBTL1 |
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-2020150372-A1 | ANTIMICROBIAL COMPOUNDS AND METHODS | CURZA GLOBAL, LLC (US) | 2020-07-23 | — | — | WO | disclosed |