Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL23879258 | 1.00 | HTT (0.45) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL23879241 | 0.89 | ALDH1A1 (0.55) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL30452623 | 0.85 | TSHR (0.41) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL23879240 | 0.85 | TSHR (0.41) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL30452681 | 0.81 | PLAU (0.37) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL23879233 | 0.81 | PLAU (0.37) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL30453636 | 0.78 | HTT (0.49) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL23879278 | 0.78 | HTT (0.49) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL23879246 | 0.78 | HTT (0.51) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL23879281 | 0.77 | ALDH1A1 (0.43) | HTTMAPTSMN1; SMN2NPSR1ALDH1A1 |
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 |