Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31460641 | 0.80 | POLB (0.37) | HTTPOLBCA1CA2CA9 | |
| SCHEMBL8390342 | 0.78 | HTT (0.41) | HTTPOLBCA1CA2MAPT | |
| SCHEMBL11138242 | 0.75 | HTT (0.38) | HTTPOLBCA1CA2CA9 | |
| SCHEMBL3726607 | 0.75 | CA1 (0.43) | POLBCA1CA2CA9MAPT | |
| SCHEMBL20865852 | 0.71 | CYP3A4 (0.40) | POLBCA1CA2CA9MAPT | |
| SCHEMBL20149120 | 0.71 | HTT (0.38) | HTTPOLBCA1CA2CA9 | |
| SCHEMBL15704293 | 0.71 | AR (0.35) | HTTPOLBCA1CA2CA9 | |
| SCHEMBL18398219 | 0.71 | HTT (0.38) | HTTPOLBCA1CA2CA9 | |
| SCHEMBL3306702 | 0.70 | GAA (0.38) | POLBCA1CA2CA9MAPT | |
| SCHEMBL637010 | 0.70 | HTT (0.50) | HTTPOLBMAPTALDH1A1GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3702354-A1 | COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF | Shanghai Haihe Pharmaceutical Co., Ltd. (CN) | 2020-09-02 | — | — | EP | disclosed |