Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.43 |
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310654 | 0.85 | HDAC1 (0.43) | HDAC1HDAC6CACNA1HCACNA1GCACNA1I | |
| SCHEMBL22737100 | 0.84 | HDAC1 (0.50) | HDAC1HDAC6TSHRCACNA1HCACNA1G | |
| SCHEMBL24310340 | 0.83 | HDAC1 (0.48) | HDAC1HDAC6ALDH1A1HPGDTP53 | |
| SCHEMBL20095692 | 0.80 | KLKB1 (0.47) | HDAC1HDAC6ALDH1A1KLKB1KLK1 | |
| SCHEMBL8532976 | 0.77 | KLKB1 (0.53) | TSHRCACNA1HCACNA1GCACNA1IKLKB1 | |
| SCHEMBL24310730 | 0.74 | HDAC1 (0.45) | HDAC1HDAC6CACNA1HCACNA1GCACNA1I | |
| SCHEMBL22737096 | 0.73 | CACNA1H (0.46) | HDAC1HDAC6TSHRCACNA1HCACNA1G | |
| SCHEMBL28517031 | 0.73 | HDAC1 (0.45) | HDAC1HDAC6TSHRCACNA1HCACNA1G | |
| SCHEMBL8531702 | 0.72 | CACNA1H (0.55) | TSHRCACNA1HCACNA1GCACNA1IALDH1A1 | |
| SCHEMBL24310660 | 0.72 | GLA (0.48) | HDAC1HDAC6CACNA1HCACNA1GCACNA1I |
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 |