Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL7908528 | 1.00 | PARP1 (0.46) | PARP1MYCALDH1A1HPGDKDM4E | |
| SCHEMBL1545846 | 0.83 | BRPF1 (0.46) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL2960119 | 0.83 | ALDH1A1 (0.61) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL16555030 | 0.81 | KDM4E (0.43) | PARP1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL29136545 | 0.80 | MAPT (0.46) | PARP1ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL30933674 | 0.80 | ESR1 (0.49) | PARP1MYCALDH1A1HPGDKDM4E | |
| SCHEMBL160022 | 0.80 | ESR1 (0.49) | PARP1MYCALDH1A1HPGDKDM4E | |
| SCHEMBL6099 | 0.79 | ALDH1A1 (0.56) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL1558192 | 0.79 | ALDH1A1 (0.56) | MYCALDH1A1HPGDKDM4EHSD17B10 | |
| Cresotamide SCHEMBL1806785 | 0.78 | ALDH1A1 (0.67) | PARP1MYCALDH1A1HPGDKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024032584-A1 | PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF | 苏州必扬医药科技有限公司 | 2024-02-15 | — | — | WO | disclosed |