Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | PPOX | P50336 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.37 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNB3 | P54284 | 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 | |
|---|---|---|---|---|
| SCHEMBL87581 | 1.00 | S100A4 (0.41) | S100A4ARCES1PSMD14ALDH1A1 | |
| SCHEMBL9202229 | 0.85 | AR (0.41) | S100A4ARALDH1A1KDM4EGAA | |
| SCHEMBL10508690 | 0.82 | AHR (0.43) | KDM4ERETKDRMAPT | |
| SCHEMBL10508695 | 0.82 | AHR (0.43) | KDM4ERETKDRMAPT | |
| SCHEMBL8376684 | 0.79 | S100A4 (0.42) | S100A4ARCES1PSMD14ALDH1A1 | |
| SCHEMBL25261284 | 0.78 | TYMS (0.42) | S100A4ARPSMD14ALDH1A1KDM4E | |
| SCHEMBL18705382 | 0.78 | S100A4 (0.41) | S100A4ARALDH1A1KDM4EGAA | |
| SCHEMBL2532868 | 0.78 | S100A4 (0.41) | S100A4ARALDH1A1KDM4EGAA | |
| SCHEMBL3241979 | 0.78 | ELANE (0.41) | ALDH1A1KDM4EGAAMEN1KMT2A | |
| SCHEMBL25312082 | 0.78 | TYMS (0.42) | S100A4ARPSMD14ALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118373791-A | Allyl phthalide compound and preparation method and application thereof | 南京工业大学 | 2024-07-23 | — | — | CN | claimed |
| CN-118373791-A | Allyl phthalide compound and preparation method and application thereof | 南京工业大学 | 2024-07-23 | — | — | CN | disclosed |
| WO-2023192989-A2 | PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS | AZKARRA THERAPEUTICS, INC. (US) | 2023-10-05 | — | — | WO | disclosed |