Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 3/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 13/20 | 0.46 |
| ▸ | KLK1 | P06870 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310893 | 0.88 | KLKB1 (0.48) | KLKB1RIPK1KLK1HDAC1HDAC6 | |
| SCHEMBL24310730 | 0.87 | HDAC1 (0.45) | KLKB1RIPK1HDAC1HDAC6 | |
| SCHEMBL24310340 | 0.86 | HDAC1 (0.48) | RIPK1HDAC1HDAC6ALDH1A1 | |
| SCHEMBL24310660 | 0.85 | GLA (0.48) | KLKB1RIPK1HDAC1HDAC6ALDH1A1 | |
| SCHEMBL24310621 | 0.84 | HDAC1 (0.44) | KLKB1RIPK1HDAC1HDAC6ALDH1A1 | |
| SCHEMBL24310654 | 0.84 | HDAC1 (0.43) | KLKB1KLK1HDAC1HDAC6 | |
| SCHEMBL24310890 | 0.82 | KLKB1 (0.43) | KLKB1RIPK1HDAC1ALDH1A1 | |
| SCHEMBL19658305 | 0.82 | KLKB1 (0.50) | KLKB1RIPK1KLK1HDAC1HDAC6 | |
| SCHEMBL1414358 | 0.82 | KLKB1 (0.49) | KLKB1RIPK1KLK1HDAC1HDAC6 | |
| SCHEMBL24310638 | 0.80 | MEN1 (0.46) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3978492-A1 | BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-04-06 | — | — | EP | disclosed |
| WO-2018073193-A1 | BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2018-04-26 | — | — | WO | disclosed |