Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.49 |
| ▸ | CCR9 | P51686 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22737095 | 0.84 | HDAC1 (0.48) | HDAC1HDAC6HDAC7MRGPRX4KLKB1 | |
| SCHEMBL18366892 | 0.84 | HDAC1 (0.53) | HDAC1HDAC6HDAC7KLKB1KLK1 | |
| SCHEMBL18366908 | 0.82 | LMNA (0.45) | HDAC1HDAC6KLKB1KLK1 | |
| SCHEMBL1414358 | 0.82 | KLKB1 (0.49) | HDAC1HDAC6KLKB1KLK1 | |
| SCHEMBL22737093 | 0.81 | CACNA1G (0.44) | HDAC1HDAC6KLKB1KLK1 | |
| SCHEMBL18577755 | 0.80 | HDAC6 (0.61) | HDAC1HDAC6SRD5A2 | |
| SCHEMBL18366425 | 0.77 | CACNA1G (0.51) | HDAC1HDAC6P2RY14PTGDR2 | |
| SCHEMBL30092639 | 0.77 | CACNA1G (0.51) | HDAC1HDAC6P2RY14PTGDR2 | |
| SCHEMBL13529255 | 0.77 | CYP19A1 (0.49) | HDAC1HDAC6KLKB1KLK1P2RY14 | |
| SCHEMBL18577743 | 0.76 | HDAC1 (0.58) | HDAC1HDAC6HDAC7TGM2 |
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-2020239074-A1 | BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2020-12-03 | — | — | WO | disclosed |