Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30141985 | 0.79 | HPGD (0.45) | NPC1ALDH1A1RAB9ADCUN1D1NOTUM | |
| SCHEMBL28746022 | 0.78 | CYP1A2 (0.46) | ALDH1A1NOTUMMAPK1CLK4HCAR1 | |
| SCHEMBL7591056 | 0.76 | PTGES (0.48) | — | |
| SCHEMBL29891752 | 0.75 | PDE5A (0.51) | ALDH1A1DCUN1D1GAACDK1GSK3A | |
| SCHEMBL11683708 | 0.75 | ALDH1A1 (0.40) | NPC1ALDH1A1RAB9AL3MBTL1GAA | |
| SCHEMBL1133436 | 0.73 | GAA (0.50) | NPC1ALDH1A1RAB9AL3MBTL1NOTUM | |
| SCHEMBL1129657 | 0.72 | ALDH1A1 (0.39) | NPC1ALDH1A1PKML3MBTL1 | |
| SCHEMBL29985833 | 0.72 | NISCH (0.53) | NPC1ALDH1A1PKMRAB9AL3MBTL1 | |
| SCHEMBL1289114 | 0.72 | NISCH (0.53) | NPC1ALDH1A1PKMRAB9AL3MBTL1 | |
| SCHEMBL31558577 | 0.71 | ALDH1A1 (0.41) | NPC1ALDH1A1PKMRAB9AL3MBTL1 |
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-109790146-B | Pharmaceutical compounds | 阿尔麦克探索有限公司 | 2022-08-23 | — | — | CN | disclosed |