Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23879281 | 1.00 | ALDH1A1 (0.43) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL23879249 | 0.84 | ALDH1A1 (0.46) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL30452188 | 0.81 | GAA (0.43) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL23879259 | 0.81 | GAA (0.43) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL23879248 | 0.78 | TAS1R3 (0.38) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL30452200 | 0.78 | TAS1R3 (0.38) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL23879242 | 0.78 | GAA (0.56) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL30452479 | 0.78 | GAA (0.56) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL23879241 | 0.77 | ALDH1A1 (0.55) | ALDH1A1GAAHTTMAPTSMN1; SMN2 | |
| SCHEMBL23879258 | 0.77 | HTT (0.45) | ALDH1A1GAAHTTMAPTSMN1; SMN2 |
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-111253404-B | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |