Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19980450 | 0.82 | AOC3 (0.44) | NPC1RAB9ALMNAAOC3ALDH1A1 | |
| SCHEMBL22737287 | 0.81 | AOC3 (0.42) | NPC1RAB9ALMNAAOC3ALDH1A1 | |
| SCHEMBL22048740 | 0.78 | NPC1 (0.42) | NPC1RAB9ALMNAAOC3ALDH1A1 | |
| SCHEMBL23189283 | 0.78 | AOC3 (0.44) | NPC1RAB9ALMNAAOC3ALDH1A1 | |
| SCHEMBL23189268 | 0.77 | HPGD (0.41) | NPC1RAB9ALMNAAOC3ALDH1A1 | |
| SCHEMBL19216110 | 0.76 | AOC3 (0.52) | NPC1RAB9AAOC3ALDH1A1CA12 | |
| SCHEMBL20344592 | 0.75 | TDP1 (0.39) | NPC1RAB9ALMNAAOC3ALDH1A1 | |
| SCHEMBL19654872 | 0.73 | AOC3 (0.48) | NPC1RAB9AAOC3ALDH1A1CA12 | |
| SCHEMBL23337476 | 0.71 | AOC3 (0.42) | NPC1RAB9ALMNAAOC3ALDH1A1 | |
| SCHEMBL25581834 | 0.70 | AOC3 (0.46) | LMNAAOC3ALDH1A1KMT2A |
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 |