Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 19/20 | 0.42 |
| ▸ | EGFR | P00533 | 7/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | FECH | P22830 | 1/20 | 0.42 |
| ▸ | MYH14 | Q7Z406 | 1/20 | 0.42 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29907348 | 0.81 | ERBB2 (0.46) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL13655122 | 0.80 | ERBB2 (0.47) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL1192195 | 0.78 | ERBB2 (0.48) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL29414877 | 0.78 | ERBB2 (0.48) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL12261810 | 0.77 | ERBB2 (0.45) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL23135652 | 0.76 | ERBB2 (0.45) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL12310561 | 0.76 | ERBB2 (0.44) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL26894024 | 0.75 | ERBB2 (0.43) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL26579583 | 0.74 | ERBB2 (0.44) | ERBB2EGFRNQO2FECHMYH14 | |
| SCHEMBL1192686 | 0.74 | ERBB2 (0.45) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114621221-B | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-10-11 | — | — | CN | claimed |
| CN-114621221-A | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-06-14 | — | — | CN | claimed |
| CN-114621221-B | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-114621221-B | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-114621221-A | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114621221-A | Tourtinib key intermediate and preparation method thereof | 陕西海辰风扬医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |