Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 8/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3624020 | 1.00 | ROCK2 (0.54) | ROCK2ROCK1HPGDSYKKEAP1 | |
| SCHEMBL3630023 | 0.88 | ROCK2 (0.56) | ROCK2ROCK1HPGDSYKJAK2 | |
| SCHEMBL3630024 | 0.88 | ROCK2 (0.56) | ROCK2ROCK1HPGDSYKJAK2 | |
| SCHEMBL1937083 | 0.88 | ROCK2 (0.69) | ROCK2ROCK1HPGDSYKJAK2 | |
| SCHEMBL1937080 | 0.88 | ROCK2 (0.69) | ROCK2ROCK1HPGDSYKJAK2 | |
| Hydrochloric Acid SCHEMBL1936212 | 0.86 | ROCK2 (0.67) | ROCK2ROCK1HPGDSYKJAK2 | |
| Hydrochloric Acid SCHEMBL1936213 | 0.86 | ROCK2 (0.67) | ROCK2ROCK1HPGDSYKJAK2 | |
| SCHEMBL3629949 | 0.84 | ROCK2 (0.56) | ROCK2ROCK1HPGDSYK | |
| SCHEMBL3629952 | 0.84 | ROCK2 (0.56) | ROCK2ROCK1HPGDSYK | |
| SCHEMBL3627381 | 0.82 | ROCK2 (0.79) | ROCK2ROCK1SYK |
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-2010032875-A2 | HETEROCYCLIC CARBOXAMIDE COMPOUNDS | ASTELLAS PHARMA INC. (JP) | 2010-03-25 | — | — | WO | disclosed |