Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 14/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27140846 | 0.80 | PARP1 (0.42) | PARP1ALDH1A1GAAP2RX7ALOX5 | |
| SCHEMBL24879793 | 0.80 | PARP1 (0.42) | PARP1ALDH1A1GAAP2RX7ALOX5 | |
| SCHEMBL13163336 | 0.78 | NPC1 (0.48) | PARP1ALDH1A1GAA | |
| SCHEMBL18839208 | 0.71 | KDM4E (0.37) | PARP1ALDH1A1GAAP2RX7 | |
| SCHEMBL18861631 | 0.69 | MAPK1 (0.37) | PARP1ALDH1A1GAAP2RX7PIM1 | |
| SCHEMBL18839070 | 0.68 | ALDH1A1 (0.44) | PARP1ALDH1A1GAAP2RX7HTR2C | |
| SCHEMBL24565083 | 0.67 | P2RX7 (0.35) | PARP1ALDH1A1GAAP2RX7PIM1 | |
| SCHEMBL18839101 | 0.67 | MAPK1 (0.36) | PARP1ALDH1A1GAAP2RX7PIM1 | |
| SCHEMBL24880339 | 0.67 | P2RX7 (0.41) | PARP1ALDH1A1P2RX7ALOX5 | |
| Hydrochloric Acid SCHEMBL3995578 | 0.67 | ALDH1A1 (0.43) | PARP1ALDH1A1GAAP2RX7HTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115594680-A | TEAD inhibitor | 武汉人福创新药物研发中心有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| WO-2023280254-A1 | TEAD INHIBITOR | 武汉人福创新药物研发中心有限公司 | 2023-01-12 | — | — | WO | disclosed |
| WO-2023280254-A1 | TEAD INHIBITOR | 武汉人福创新药物研发中心有限公司 | 2023-01-12 | — | — | WO | disclosed |
| CN-111057048-B | Aminopyrazine/pyridine compound, preparation method and application | 上海凌达生物医药有限公司 | 2022-03-18 | — | — | CN | disclosed |