Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 11/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | UBE2N | P61088 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20769697 | 1.00 | ROCK2 (0.55) | ROCK2ROCK1KDM4EHPGDPTBP1 | |
| SCHEMBL14816898 | 0.87 | ROCK2 (0.42) | ROCK2ROCK1KDM4EHPGDPTBP1 | |
| SCHEMBL29674712 | 0.83 | ROCK2 (0.58) | ROCK2ROCK1KDM4ETIPARPALDH1A1 | |
| SCHEMBL29908218 | 0.82 | ROCK2 (0.39) | ROCK2ROCK1KDM4EHPGDPTBP1 | |
| SCHEMBL16637499 | 0.82 | ROCK2 (0.57) | ROCK2ROCK1KDM4ETIPARPALDH1A1 | |
| SCHEMBL29628003 | 0.82 | HTR1A (0.48) | ROCK2ROCK1CTSS | |
| SCHEMBL29640451 | 0.81 | ROCK2 (0.44) | ROCK2ROCK1KDM4EHPGDPTBP1 | |
| SCHEMBL29627867 | 0.81 | CTSS (0.44) | ROCK2KDM4EHPGDALDH1A1POLB | |
| SCHEMBL20769723 | 0.78 | ROCK2 (0.56) | ROCK2ROCK1TIPARP | |
| SCHEMBL20770054 | 0.77 | ROCK2 (0.53) | ROCK2ROCK1TIPARP |
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 |
|---|---|---|---|---|---|---|---|
| CN-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |