Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27699256 | 0.85 | CHEK1 (0.40) | LMNACHEK1AURKADAPK3JAK2 | |
| SCHEMBL27699228 | 0.82 | CHEK1 (0.38) | LMNANFKB1NFKB2RELACHEK1 | |
| SCHEMBL27719895 | 0.80 | CYP2A6 (0.45) | CYP2A6CYP2E1RIPK2ABL1CYP3A4 | |
| SCHEMBL27699404 | 0.79 | CYP2A6 (0.51) | CYP2A6CYP2E1LMNARIPK2ABL1 | |
| SCHEMBL27699405 | 0.78 | HPGD (0.40) | LMNACHEK1AURKADAPK3JAK2 | |
| SCHEMBL27699429 | 0.77 | TLR2 (0.52) | CYP2A6CYP2E1LMNARIPK2CYP3A4 | |
| SCHEMBL27699382 | 0.76 | CYP2A6 (0.48) | CYP2A6CYP2E1RIPK2CYP3A4CYP2C9 | |
| SCHEMBL28772169 | 0.76 | KDM4E (0.50) | CYP2A6CYP2E1LMNARIPK2FGFR1 | |
| SCHEMBL17632576 | 0.75 | CYP2A6 (0.56) | CYP2A6CYP2E1RIPK2CYP3A4KDM4E | |
| SCHEMBL27719706 | 0.75 | KEAP1 (0.51) | CYP2A6CYP2E1ABL1MAPTPDE4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101166735-A | Novel oxadiazole derivatives and their medical use | NEUROSEARCH AS (DK) | 2008-04-23 | — | — | CN | disclosed |