Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.44 |
| ▸ | RAF1 | P04049 | 4/20 | 0.42 |
| ▸ | BRAF | P15056 | 4/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ESRRB | O95718 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1192531 | 1.00 | PARP1 (0.47) | PARP1MAP4K4ALKRAF1BRAF | |
| SCHEMBL5453911 | 0.83 | EGFR (0.46) | MAP4K4ALKEGFRHTTGLA | |
| Ethoxycarbonyl Group SCHEMBL27607080 | 0.80 | PARP1 (0.37) | PARP1MAP4K4ALKRAF1BRAF | |
| SCHEMBL1012225 | 0.79 | HTT (0.50) | PARP1MAP4K4HTTKDM4EALDH1A1 | |
| SCHEMBL934881 | 0.79 | LMNA (0.58) | ALKHTTGLAKDM4EALDH1A1 | |
| SCHEMBL16179658 | 0.79 | EGFR (0.51) | PARP1MAP4K4EGFRERBB2 | |
| SCHEMBL3737053 | 0.79 | HTT (0.49) | PARP1MAP4K4RAF1BRAFEGFR | |
| SCHEMBL3734931 | 0.79 | HTT (0.49) | PARP1MAP4K4RAF1BRAFEGFR | |
| SCHEMBL12850068 | 0.79 | MAP4K4 (0.36) | MAP4K4ALKRAF1BRAFHTT | |
| SCHEMBL217203 | 0.79 | PARP1 (0.44) | PARP1MAP4K4ALKRAF1BRAF |
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-115803326-B | EGFR inhibitor, preparation method thereof and application thereof in pharmacy | 上海和誉生物医药科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-115803326-A | EGFR inhibitor, preparation method and pharmaceutical application thereof | 上海和誉生物医药科技有限公司 | 2023-03-14 | — | — | CN | disclosed |