Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | LIG1 | P18858 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30712600 | 1.00 | TDP1 (0.42) | TDP1MGLLCYP19A1MAPTGSK3B | |
| SCHEMBL1441058 | 0.82 | TDP1 (0.44) | TDP1MGLLCYP19A1GSK3BBACE1 | |
| SCHEMBL1366583 | 0.82 | TDP1 (0.44) | TDP1MGLLCYP19A1GSK3BBACE1 | |
| SCHEMBL28983076 | 0.82 | TDP1 (0.44) | TDP1MGLLCYP19A1GSK3BBACE1 | |
| SCHEMBL30712604 | 0.82 | CA2 (0.38) | CYP19A1MAPTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL30712598 | 0.82 | CA2 (0.38) | CYP19A1MAPTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL12572359 | 0.70 | GSK3B (0.50) | TDP1GSK3BBACE1KMT2ASMN1; SMN2 | |
| SCHEMBL21536565 | 0.70 | GSK3B (0.50) | TDP1GSK3BBACE1KMT2ASMN1; SMN2 | |
| SCHEMBL23878342 | 0.66 | TDP1 (0.46) | TDP1GSK3BBACE1KMT2ALMNA | |
| SCHEMBL22039449 | 0.66 | TDP1 (0.46) | TDP1GSK3BBACE1KMT2ALMNA |
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-119790041-A | Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2025-04-08 | — | — | CN | disclosed |
| CN-117402123-A | Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2024-01-16 | — | — | CN | disclosed |
| WO-2024008166-A1 | α,β-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国科学院上海药物研究所 | 2024-01-11 | — | — | WO | disclosed |