Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.33 |
| ▸ | RXRA | P19793 | 7/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL25043847 | 0.81 | GRIN1 (0.34) | GRIN1GRIN2BRXRA | |
| SCHEMBL25044717 | 0.81 | ALDH1A1 (0.40) | ALDH1A1GRIN1GRIN2BRXRA | |
| SCHEMBL25044727 | 0.78 | L3MBTL1 (0.49) | ALDH1A1 | |
| SCHEMBL28974765 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CYP1A2NOTUM | |
| SCHEMBL25043836 | 0.74 | ALDH1A1 (0.37) | ALDH1A1CYP1A2NOTUMGABRB3 | |
| SCHEMBL21623953 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP1A2NOTUMGRIN1GRIN2B | |
| SCHEMBL25045416 | 0.72 | ALDH1A1 (0.47) | ALDH1A1CYP1A2NOTUM | |
| SCHEMBL6474910 | 0.72 | — | — | |
| SCHEMBL25044736 | 0.71 | CYP1A2 (0.42) | ALDH1A1CYP1A2NOTUMGRIN1GRIN2B | |
| SCHEMBL25044718 | 0.69 | L3MBTL1 (0.54) | ALDH1A1 |
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-115703765-B | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2025-02-28 | — | — | CN | disclosed |
| CN-115703765-A | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |
| WO-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |