Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 4/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | GNRHR | P30968 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4742353 | 0.90 | PARP1 (0.44) | KDM4EPOLBALDH1A1PARP1PARP2 | |
| SCHEMBL28262408 | 0.88 | KDM4E (0.50) | KDM4EPOLBALDH1A1KITTSHR | |
| SCHEMBL28321312 | 0.88 | KDM4E (0.46) | KDM4EPOLBALDH1A1PARP1PARP2 | |
| SCHEMBL20357333 | 0.85 | CHRM3 (0.51) | KDM4EALDH1A1PARP1PARP2ATM | |
| SCHEMBL2679792 | 0.85 | PARP1 (0.48) | KDM4EALDH1A1PARP1PARP2PARP3 | |
| SCHEMBL27734230 | 0.81 | NR1H2 (0.54) | KDM4EPOLBALDH1A1KITTSHR | |
| SCHEMBL17857128 | 0.80 | ALDH1A1 (0.55) | KDM4EPOLBALDH1A1KITTSHR | |
| SCHEMBL31053450 | 0.78 | PARP1 (0.40) | KDM4EPOLBALDH1A1PARP1PARP2 | |
| SCHEMBL29286662 | 0.76 | CD38 (0.46) | PARP1GAA | |
| SCHEMBL2925004 | 0.75 | PARP1 (0.48) | KDM4EPOLBALDH1A1PARP1PARP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110291081-A | BENZIMIDAZOLE COMPOUNDS AS C-KIT INHIBITORS | 阿瑞雅德制药公司 | 2019-09-27 | — | — | CN | claimed |
| CN-109111395-B | Novel BCR-ABL kinase inhibitor | 中国科学院合肥物质科学研究院 | 2022-08-30 | — | — | CN | disclosed |
| CN-111072636-B | Synthesis method of flumatinib | 江苏豪森药业集团有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-111072636-A | Synthesis method of flumatinib | 江苏豪森药业集团有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-109111395-A | Novel BCR-ABL kinase inhibitor | 中国科学院合肥物质科学研究院 | 2019-01-01 | — | — | CN | disclosed |