Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16552136 | 0.86 | GRM2 (0.43) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL16551990 | 0.79 | GRM2 (0.37) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL16551968 | 0.78 | GRM2 (0.39) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL16552146 | 0.77 | PDE5A (0.41) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL20834059 | 0.74 | ABCB1 (0.41) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL16551989 | 0.73 | CA12 (0.35) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL20833952 | 0.72 | GRM2 (0.34) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL12791343 | 0.71 | GRM2 (0.46) | GRM2KDM4ACA1CA2CACNA1H | |
| SCHEMBL16552019 | 0.71 | KDM4A (0.39) | GRM2KDM4ACA1CA2CA9 | |
| SCHEMBL17922691 | 0.69 | ADORA2A (0.48) | KDM4ACA1CA2CA9CA12 |
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-2015027959-A1 | CYCLIC PEPTIDE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海冠宇生物医药科技有限公司 (CN) | 2015-03-05 | — | — | WO | disclosed |