Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1104868 | 0.82 | ALDH1A1 (0.57) | NLRP3ALDH1A1KDM4ELMNAGLA | |
| SCHEMBL20632881 | 0.78 | ROCK1 (0.42) | ROCK1ALDH1A1KDM4ELMNAGLA | |
| SCHEMBL1104831 | 0.77 | NLRP3 (0.61) | NLRP3ALDH1A1KDM4ESIRT2SIRT1 | |
| SCHEMBL10979856 | 0.76 | NLRP3 (0.60) | NLRP3ALDH1A1KDM4ESIRT2SIRT1 | |
| SCHEMBL1104848 | 0.75 | ALDH1A1 (0.58) | NLRP3ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL13486686 | 0.74 | SIRT2 (0.62) | NLRP3ALDH1A1LMNASIRT2SIRT1 | |
| SCHEMBL13299532 | 0.73 | NLRP3 (0.57) | NLRP3ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL13299529 | 0.73 | NLRP3 (0.57) | NLRP3ALDH1A1KDM4ELMNAGLA | |
| SCHEMBL13299530 | 0.73 | NLRP3 (0.57) | NLRP3ALDH1A1KDM4ELMNAGLA | |
| SCHEMBL1104845 | 0.72 | ALDH1A1 (0.54) | NLRP3ALDH1A1KDM4ELMNAMAPT |
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-2018151562-A9 | NOVEL BENZIMIDAZOLE DERIVATIVE HAVING JNK INHIBITORY ACTIVITY AND USE THEREOF | 한양대학교 에리카산학협력단 | 2019-01-10 | — | — | WO | disclosed |