Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C3AR1 | Q16581 | 17/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL800524 | 0.89 | C3AR1 (0.34) | C3AR1HDAC1HDAC8HDAC6 | |
| SCHEMBL805184 | 0.79 | HDAC1 (0.33) | C3AR1HDAC1HDAC8HDAC6PDE2A | |
| SCHEMBL801034 | 0.79 | HDAC1 (0.42) | C3AR1HDAC1HDAC8HDAC6 | |
| SCHEMBL800942 | 0.78 | HDAC1 (0.33) | C3AR1HDAC1HDAC8HDAC6 | |
| SCHEMBL805242 | 0.76 | C3AR1 (0.31) | C3AR1 | |
| SCHEMBL800480 | 0.74 | C3AR1 (0.49) | C3AR1 | |
| SCHEMBL25387512 | 0.74 | HDAC1 (0.40) | C3AR1HDAC1HDAC8HDAC6 | |
| SCHEMBL22636149 | 0.72 | C3AR1 (0.37) | C3AR1HDAC1HDAC8HDAC6 | |
| SCHEMBL22636152 | 0.72 | C3AR1 (0.37) | C3AR1HDAC1HDAC8HDAC6 | |
| SCHEMBL5512580 | 0.70 | HDAC1 (0.41) | HDAC1HDAC8HDAC6 |
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-2008009942-A1 | HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS | CAMBRIDGE ENTERPRISE LTD. (GB) | 2008-01-24 | — | — | WO | disclosed |