Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | LDHB | P07195 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL22737100 | 0.86 | HDAC1 (0.50) | HDAC1HDAC6TSHRSMN1; SMN2KLKB1 | |
| SCHEMBL18366885 | 0.85 | HDAC1 (0.52) | HDAC1HDAC6MAPK1SMN1; SMN2NOTUM | |
| SCHEMBL22737091 | 0.84 | SMN1; SMN2 (0.46) | HDAC1HDAC6TSHRSMN1; SMN2NOTUM | |
| SCHEMBL22737094 | 0.84 | HDAC1 (0.49) | HDAC1HDAC6HDAC7KLKB1KLK1 | |
| SCHEMBL18366907 | 0.84 | RAB9A (0.48) | HDAC1HDAC6SMN1; SMN2NOTUMKLKB1 | |
| SCHEMBL19228607 | 0.83 | NOTUM (0.44) | HDAC1HDAC6NOTUMKLKB1KLK1 | |
| SCHEMBL1414421 | 0.82 | KLKB1 (0.50) | HDAC1HDAC6SMN1; SMN2NOTUMKLKB1 | |
| SCHEMBL18577767 | 0.82 | HDAC6 (0.60) | HDAC1HDAC6 | |
| SCHEMBL2894916 | 0.80 | NOTUM (0.44) | HDAC1HDAC6NOTUMKLKB1KLK1 | |
| SCHEMBL30035949 | 0.80 | CACNA1G (0.53) | HDAC1HDAC6NOTUM |
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 |