Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 3/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22939896 | 0.88 | SLC18A3 (0.42) | SLC18A3ALDH1A1SIGMAR1 | |
| SCHEMBL22939895 | 0.88 | SLC18A3 (0.42) | SLC18A3ALDH1A1SIGMAR1 | |
| SCHEMBL28606331 | 0.84 | SLC18A3 (0.42) | SLC18A3ALDH1A1SIGMAR1 | |
| SCHEMBL29094453 | 0.80 | MAP3K12 (0.32) | HCAR1 | |
| SCHEMBL20697176 | 0.70 | BACE1 (0.36) | ALDH1A1HCAR1CNR2CNR1 | |
| SCHEMBL28151532 | 0.69 | NPC1 (0.45) | SMN1; SMN2ALDH1A1HPGDNPC1USP2 | |
| SCHEMBL29985868 | 0.67 | CHRM2 (0.41) | SMN1; SMN2ALDH1A1NPC1HCAR1MAPT | |
| SCHEMBL20688017 | 0.67 | HCAR1 (0.38) | HCAR1CHRM2CHRM4CHRM1 | |
| SCHEMBL30912436 | 0.67 | HCAR1 (0.38) | HCAR1CHRM2CHRM4CHRM1 | |
| SCHEMBL21285410 | 0.65 | DHODH (0.36) | ALDH1A1CNR2CNR1GAAMAPT |
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-116685318-A | Heterocyclic compounds and their use for parasitic diseases | 细胞基因公司 | 2023-09-01 | — | — | CN | disclosed |