Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.36 |
| ▸ | OGA | O60502 | 3/20 | 0.33 |
| ▸ | TGFB2 | P61812 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | PAK4 | O96013 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | LTK | P29376 | 1/20 | 0.32 |
| ▸ | GRK5 | P34947 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16023616 | 0.86 | CYP2A6 (0.50) | CYP2A6TGFBR1OGATGFB2CHEK1 | |
| SCHEMBL27108292 | 0.83 | CYP2A6 (0.51) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL1251643 | 0.83 | CYP2A6 (0.51) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL2175209 | 0.83 | CYP2A6 (0.47) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL13452732 | 0.75 | CYP2A6 (0.41) | CYP2A6TGFBR1OGATGFB2 | |
| SCHEMBL11071527 | 0.74 | CYP2A6 (0.56) | CYP2A6TGFBR1TGFB2CHEK1AURKA | |
| SCHEMBL3483101 | 0.72 | CYP2A6 (0.55) | CYP2A6TGFBR1TGFB2CHEK1AURKA | |
| SCHEMBL16023619 | 0.72 | CYP2A6 (0.55) | CYP2A6TGFBR1TGFB2CHEK1AURKA | |
| SCHEMBL13962134 | 0.71 | CYP2A6 (0.50) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL12689590 | 0.69 | CYP2A6 (0.51) | CYP2A6TGFBR1TGFB2CHEK1AURKA |
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-2023011416-A1 | MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR | 中国海洋大学 | 2023-02-09 | — | — | WO | disclosed |