Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CMA1 | P23946 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | CD74 | P04233 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.45 |
| ▸ | KLK1 | P06870 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24311093 | 0.86 | HDAC1 (0.49) | HDAC1KMT2AHDAC6MEN1CMA1 | |
| SCHEMBL24311065 | 0.81 | KDM4E (0.52) | HDAC1KMT2AHDAC6MEN1ADRA1D | |
| SCHEMBL11584045 | 0.80 | KLKB1 (0.50) | HDAC1HDAC6ALDH1A1KLKB1KLK1 | |
| SCHEMBL22888153 | 0.75 | NPSR1 (0.46) | HDAC1KMT2AHDAC6MEN1AADAT | |
| SCHEMBL30587554 | 0.75 | KLKB1 (0.40) | HDAC1HDAC6KLKB1KLK1 | |
| SCHEMBL31333074 | 0.74 | TP53 (0.53) | KMT2AMEN1CMA1ADRA1DALDH1A1 | |
| SCHEMBL7984239 | 0.74 | ADRA1D (0.52) | KMT2AMEN1CMA1ADRA1DNR3C2 | |
| SCHEMBL30092556 | 0.74 | CACNA1G (0.50) | HDAC1HDAC6KLKB1KLK1 | |
| SCHEMBL30429548 | 0.73 | RIPK1 (0.45) | KLKB1KLK1SIRT1 | |
| SCHEMBL13279376 | 0.73 | ALDH1A1 (0.49) | KMT2AMEN1CMA1ADRA1DALDH1A1 |
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-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 |