Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | KDM2B | Q8NHM5 | 7/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31215258 | 0.93 | ROCK2 (0.44) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL18969559 | 0.93 | ROCK2 (0.44) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL18940586 | 0.89 | ROCK2 (0.43) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL18960744 | 0.89 | ROCK2 (0.42) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL18938869 | 0.86 | ROCK2 (0.45) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL18938861 | 0.85 | ROCK2 (0.47) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL29641293 | 0.85 | ROCK2 (0.47) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL18938863 | 0.84 | ROCK2 (0.44) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL29850606 | 0.84 | ROCK2 (0.44) | ROCK2ROCK1KDM2BMTNR1AMTNR1B | |
| SCHEMBL19359607 | 0.83 | ROCK2 (0.45) | ROCK2ROCK1MTNR1AMTNR1BPADI4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9963448-B2 | Bicyclic inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-05-08 | — | — | US | disclosed |