Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | PAM | P19021 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8707459 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPK1HDAC1HDAC8PRMT1 | |
| SCHEMBL27445747 | 0.81 | TSHR (0.50) | ALDH1A1MAPK1L3MBTL1HDAC8PAM | |
| SCHEMBL7053278 | 0.81 | BCAT1 (0.46) | EGFRERBB2ALDH1A1TSHRCA1 | |
| SCHEMBL1925760 | 0.80 | POLB (0.56) | EGFRERBB2ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL28424543 | 0.80 | ADAMTS4 (0.54) | MAPK1TSHRMMP1MMP2MMP9 | |
| SCHEMBL10687684 | 0.79 | ALDH1A1 (0.45) | ALDH1A1TSHRCA1CA2MMP1 | |
| SCHEMBL28745516 | 0.78 | MMP12 (0.53) | ALDH1A1L3MBTL1KEAP1HDAC1TSHR | |
| SCHEMBL2026104 | 0.75 | BCAT1 (0.55) | KEAP1CA1CA2MMP1MMP2 | |
| SCHEMBL398043 | 0.75 | TBXA2R (0.42) | ALDH1A1CA1CA2MMP1MMP2 | |
| SCHEMBL599971 | 0.75 | EPHX2 (0.49) | ALDH1A1TSHRMMP1MMP13 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200994-B | Application of podophyllotoxin carboxylate derivatives in preparation of anti-tumor products | 济宁市第一人民医院 | 2022-05-17 | — | — | CN | claimed |
| CN-112010791-B | Novel lithospermine phenylacetate derivative containing benzenesulfonamide structural unit and synthesis method and application thereof | 济宁市第一人民医院 | 2022-04-08 | — | — | CN | claimed |
| CN-113200994-A | Application of podophyllotoxin carboxylate derivatives in preparation of anti-tumor products | 济宁市第一人民医院 | 2021-08-03 | — | — | CN | claimed |
| CN-112010791-A | Novel lithospermine phenylacetate derivative containing benzenesulfonamide structural unit and synthesis method and application thereof | 济宁市第一人民医院 | 2020-12-01 | — | — | CN | claimed |
| CN-113185529-B | Preparation method of benzoyl-containing acrylic acid podophyllotoxin ester derivative and application of benzoyl-containing acrylic acid podophyllotoxin ester derivative in tumor inhibition | 济宁市第一人民医院 | 2022-06-21 | — | — | CN | disclosed |
| CN-113200994-B | Application of podophyllotoxin carboxylate derivatives in preparation of anti-tumor products | 济宁市第一人民医院 | 2022-05-17 | — | — | CN | disclosed |
| CN-113200994-B | Application of podophyllotoxin carboxylate derivatives in preparation of anti-tumor products | 济宁市第一人民医院 | 2022-05-17 | — | — | CN | disclosed |
| CN-113214281-B | Synthesis of benzene sulfonamide phenylbutyrate podophyllotoxin ester derivatives and application of benzene sulfonamide phenylbutyrate podophyllotoxin ester derivatives in anticancer drugs | 济宁市第一人民医院 | 2022-05-17 | — | — | CN | disclosed |
| CN-112010791-B | Novel lithospermine phenylacetate derivative containing benzenesulfonamide structural unit and synthesis method and application thereof | 济宁市第一人民医院 | 2022-04-08 | — | — | CN | disclosed |
| CN-112010791-B | Novel lithospermine phenylacetate derivative containing benzenesulfonamide structural unit and synthesis method and application thereof | 济宁市第一人民医院 | 2022-04-08 | — | — | CN | disclosed |
| CN-113214281-A | Synthesis of benzene sulfonamide phenylbutyrate podophyllotoxin ester derivatives and application of benzene sulfonamide phenylbutyrate podophyllotoxin ester derivatives in anticancer drugs | 济宁市第一人民医院 | 2021-08-06 | — | — | CN | disclosed |
| CN-113200994-A | Application of podophyllotoxin carboxylate derivatives in preparation of anti-tumor products | 济宁市第一人民医院 | 2021-08-03 | — | — | CN | disclosed |
| CN-113200994-A | Application of podophyllotoxin carboxylate derivatives in preparation of anti-tumor products | 济宁市第一人民医院 | 2021-08-03 | — | — | CN | disclosed |
| CN-113185529-A | Preparation method of benzoyl-containing acrylic acid podophyllotoxin ester derivative and application of benzoyl-containing acrylic acid podophyllotoxin ester derivative in tumor inhibition | 济宁市第一人民医院 | 2021-07-30 | — | — | CN | disclosed |
| CN-112010791-A | Novel lithospermine phenylacetate derivative containing benzenesulfonamide structural unit and synthesis method and application thereof | 济宁市第一人民医院 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010791-A | Novel lithospermine phenylacetate derivative containing benzenesulfonamide structural unit and synthesis method and application thereof | 济宁市第一人民医院 | 2020-12-01 | — | — | CN | disclosed |