Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 7/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1996657 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10PDE4A | |
| SCHEMBL3382168 | 0.74 | KMT2A (0.44) | ALDH1A1HPGDPDE4APDE4BPDE4C | |
| SCHEMBL22900713 | 0.73 | PDE4A (0.47) | ALDH1A1KDM4EPDE4APDE4BPDE4C | |
| SCHEMBL22609267 | 0.72 | MAPK1 (0.62) | ALDH1A1KDM4EHPGDHSD17B10PDE4A | |
| SCHEMBL22900339 | 0.71 | PDE4A (0.45) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29031589 | 0.71 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10PDE4D | |
| SCHEMBL32663296 | 0.70 | SMN1; SMN2 (0.42) | ALDH1A1KDM4EPDE4APDE4BPDE4C | |
| SCHEMBL14304442 | 0.69 | ADORA3 (0.47) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| SCHEMBL30685706 | 0.69 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDHSD17B10PDE4A | |
| SCHEMBL2843820 | 0.68 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDHSD17B10KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108431004-B | Heterocyclic compounds | 武田药品工业株式会社 | 2021-02-12 | — | — | CN | disclosed |