Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.46 |
| ▸ | ILK | Q13418 | 5/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.46 |
| ▸ | GAK | O14976 | 2/20 | 0.46 |
| ▸ | SYK | P43405 | 2/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | CIT | O14578 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.46 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.46 |
| ▸ | BUB1 | O43683 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.46 |
| ▸ | STK17B | O94768 | 1/20 | 0.46 |
| ▸ | STK10 | O94804 | 1/20 | 0.46 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2971332 | 1.00 | EGFR (0.46) | EGFRILKERBB2GAKSYK | |
| SCHEMBL6089720 | 0.89 | EGFR (0.41) | EGFRILKERBB2GAKSYK | |
| SCHEMBL6358005 | 0.84 | FFAR1 (0.37) | EGFRILKERBB2GAKSYK | |
| SCHEMBL1772406 | 0.83 | EGFR (0.45) | EGFRILKLMNACYP3A4MAPK1 | |
| SCHEMBL29996269 | 0.83 | TBXAS1 (0.52) | MAPK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2908379 | 0.83 | TBXAS1 (0.52) | MAPK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16957855 | 0.83 | MAPK1 (0.43) | SYKLMNAMAPK1CYP1A2CYP2D6 | |
| SCHEMBL15723552 | 0.81 | MAPK1 (0.58) | SYKLMNACYP3A4MAPK1CYP1A2 | |
| SCHEMBL14698298 | 0.81 | KCNH2 (0.41) | EGFRALDH1A1 | |
| SCHEMBL2935432 | 0.81 | FABP7 (0.40) | EGFRERBB2LMNAMAPK1MAOB |
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-117769548-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-03-26 | — | — | CN | disclosed |