Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 15/20 | 0.46 |
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | FECH | P22830 | 1/20 | 0.43 |
| ▸ | MYH14 | Q7Z406 | 1/20 | 0.43 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13655122 | 0.84 | ERBB2 (0.47) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL1192195 | 0.82 | ERBB2 (0.48) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL29414877 | 0.82 | ERBB2 (0.48) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL26894024 | 0.82 | ERBB2 (0.43) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL29655468 | 0.81 | ERBB2 (0.42) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL12261810 | 0.81 | ERBB2 (0.45) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL30613048 | 0.81 | PIK3CD (0.40) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL26579583 | 0.81 | ERBB2 (0.44) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL23135652 | 0.80 | ERBB2 (0.45) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL12310561 | 0.80 | ERBB2 (0.44) | ERBB2EGFRNQO2FECHMYH14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022206929-A1 | APPLICATION OF COMPOUND IN PREPARATION OF INHIBITORY DRUG TARGETING ERBB2 MUTANT | 上海医药集团股份有限公司 | 2022-10-06 | — | — | WO | disclosed |