Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17683162 | 1.00 | ROCK1 (0.47) | ROCK1EGFRGAAMAPTMEN1 | |
| SCHEMBL4820325 | 0.85 | GAA (0.62) | EGFRGAAMAPTMEN1KMT2A | |
| SCHEMBL21676903 | 0.84 | ROCK1 (0.47) | ROCK1EGFRGAAMAPTMEN1 | |
| SCHEMBL30108000 | 0.82 | MAPT (0.53) | EGFRGAAMAPTMEN1KMT2A | |
| SCHEMBL3638254 | 0.82 | LCK (0.56) | ROCK1EGFRGAAMAPTMEN1 | |
| SCHEMBL18386919 | 0.82 | APP (0.40) | ROCK1MEN1KMT2ANOS3NOS1 | |
| SCHEMBL20632859 | 0.82 | ROCK1 (0.45) | ROCK1EGFRGAAMAPTMEN1 | |
| SCHEMBL30010939 | 0.81 | ROCK1 (0.46) | ROCK1ALDH1A1MAPK1SMN1; SMN2PIK3CA | |
| SCHEMBL20162211 | 0.81 | ROCK1 (0.46) | ROCK1ALDH1A1MAPK1SMN1; SMN2PIK3CA | |
| SCHEMBL4433403 | 0.81 | MEN1 (0.43) | ROCK1EGFRGAAMAPTMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117402143-A | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-117069700-A | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-111187221-B | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-111171000-B | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-111170999-B | EGFR inhibitor and preparation and application thereof | 上海翰森生物医药科技有限公司 | 2023-06-30 | — | — | CN | disclosed |