Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 5/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 4/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23744784 | 1.00 | ROCK2 (0.39) | ROCK2ROCK1PIM1HTR2CHTR2B | |
| SCHEMBL23727914 | 1.00 | ROCK2 (0.39) | ROCK2ROCK1PIM1HTR2CHTR2B | |
| SCHEMBL23744775 | 1.00 | ROCK2 (0.39) | ROCK2ROCK1PIM1HTR2CHTR2B | |
| SCHEMBL23728073 | 1.00 | ROCK2 (0.39) | ROCK2ROCK1PIM1HTR2CHTR2B | |
| SCHEMBL2178404 | 0.82 | HDAC1 (0.47) | CXCR3HDAC1IRAK4 | |
| SCHEMBL1470706 | 0.82 | HDAC1 (0.47) | CXCR3HDAC1IRAK4 | |
| SCHEMBL1470530 | 0.82 | HDAC1 (0.47) | CXCR3HDAC1IRAK4 | |
| Hydrochloric Acid SCHEMBL1735168 | 0.81 | HDAC1 (0.47) | CXCR3HDAC1IRAK4 | |
| SCHEMBL24467701 | 0.79 | ROCK2 (0.41) | ROCK2ROCK1PIM1HTR2CHTR2B | |
| SCHEMBL23744328 | 0.77 | ROCK2 (0.43) | ROCK2ROCK1HTR2CHTR2BCXCR3 |
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-2021158698-A1 | MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-08-12 | — | — | WO | disclosed |