Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18366879 | 0.88 | HDAC1 (0.49) | KDM4EHDAC1HDAC6CACNA1GCACNA1H | |
| SCHEMBL30092734 | 0.88 | HDAC1 (0.49) | KDM4EHDAC1HDAC6CACNA1GCACNA1H | |
| SCHEMBL11584045 | 0.86 | KLKB1 (0.50) | HDAC1HDAC6KLKB1KLK1 | |
| SCHEMBL30587560 | 0.83 | HDAC1 (0.48) | KDM4EHDAC1HDAC6KMT2ACACNA1G | |
| SCHEMBL18366875 | 0.83 | HDAC1 (0.48) | KDM4EHDAC1HDAC6KMT2ACACNA1G | |
| SCHEMBL24310730 | 0.82 | HDAC1 (0.45) | KDM4EHDAC1HDAC6KMT2ACACNA1G | |
| SCHEMBL22736957 | 0.81 | HDAC1 (0.50) | HDAC1HDAC6ADRA1DKMT2AKLKB1 | |
| SCHEMBL30092556 | 0.80 | CACNA1G (0.50) | HDAC1HDAC6CACNA1GCACNA1HCACNA1C | |
| SCHEMBL24193606 | 0.79 | LMNA (0.55) | ADRA1DKMT2AL3MBTL1KLKB1KLK1 | |
| SCHEMBL20531472 | 0.79 | KLKB1 (0.45) | KLKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3978492-A1 | BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-04-06 | — | — | EP | disclosed |