Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | PAM | P19021 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8140389 | 0.78 | SIGMAR1 (0.51) | ALDH1A1SIGMAR1MAPK1KMT2ATSHR | |
| SCHEMBL7676221 | 0.76 | SIGMAR1 (0.56) | ALDH1A1SIGMAR1L3MBTL1KMT2AHSD11B1 | |
| SCHEMBL27682233 | 0.76 | SIGMAR1 (0.49) | ALDH1A1SIGMAR1MAPK1L3MBTL1PAM | |
| SCHEMBL6601404 | 0.76 | EGFR (0.54) | ALDH1A1SIGMAR1MAPK1L3MBTL1KMT2A | |
| SCHEMBL5788869 | 0.76 | SIGMAR1 (0.59) | ALDH1A1SIGMAR1KMT2AEGFRLTA4H | |
| Fumaric Acid SCHEMBL6957253 | 0.75 | HCAR2 (0.48) | SIGMAR1KMT2AEGFR | |
| Fumaric Acid SCHEMBL6957258 | 0.75 | HCAR2 (0.48) | SIGMAR1KMT2AEGFR | |
| SCHEMBL25421283 | 0.75 | EGFR (0.53) | ALDH1A1SIGMAR1MAPK1L3MBTL1KMT2A | |
| SCHEMBL5059161 | 0.75 | EGFR (0.53) | ALDH1A1SIGMAR1MAPK1L3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL21814218 | 0.75 | EGFR (0.56) | ALDH1A1SIGMAR1MAPK1L3MBTL1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116514790-A | Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof | 华东师范大学 | 2023-08-01 | — | — | CN | claimed |
| CN-116514790-A | Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof | 华东师范大学 | 2023-08-01 | — | — | CN | disclosed |
| CN-105859683-B | The high-purity technical preparation process of Imatinib | 连云港恒运药业有限公司 | 2018-09-28 | — | — | CN | disclosed |