Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | LIG1 | P18858 | 1/20 | 0.36 |
| ▸ | FABP6 | P51161 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CLK3 | P49761 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4830542 | 1.00 | CES1 (0.42) | CES1DAONSD2BCHECDK1 | |
| SCHEMBL29091616 | 0.73 | CES1 (0.42) | CES1DAONSD2BCHEMAOA | |
| SCHEMBL8330690 | 0.72 | CES1 (0.44) | CES1DAONSD2BCHEMAOA | |
| SCHEMBL24104845 | 0.71 | CES1 (0.43) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL12463566 | 0.70 | ACHE (0.50) | CDK1MAPKAPK2FABP6 | |
| SCHEMBL31355589 | 0.70 | TGM2 (0.46) | CES1CASP7TGM2DNMT1 | |
| SCHEMBL2251074 | 0.69 | PARP1 (0.57) | CES1DAONSD2BCHEMAOA | |
| SCHEMBL2254584 | 0.69 | PARP1 (0.53) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL8329359 | 0.68 | CES1 (0.43) | CES1DAONSD2BCHEMAOA | |
| SCHEMBL8473758 | 0.67 | PTPRC (0.42) | CES1BCHEMAOAMAOBDYRK1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119330941-A | Antitumor compounds as UPR agonists and uses thereof | 南京圣和药业股份有限公司 | 2025-01-21 | — | — | CN | disclosed |
| CN-115697994-B | Fused quinazoline derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2024-08-13 | — | — | CN | disclosed |