Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | CCR1 | P32246 | 3/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.46 |
| ▸ | CCR8 | P51685 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30052031 | 1.00 | KDM4E (0.46) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL28439259 | 0.82 | KDM4E (0.52) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL30721716 | 0.82 | KDM4E (0.56) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL7035129 | 0.82 | KDM4E (0.56) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL28331391 | 0.81 | GRM5 (0.62) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL24181568 | 0.79 | P2RX7 (0.46) | POLBNPC1ALDH1A1RAB9APKM | |
| SCHEMBL30052825 | 0.79 | MAPK14 (0.40) | GRM5MAPK14 | |
| SCHEMBL29050794 | 0.79 | MAPK14 (0.40) | GRM5MAPK14 | |
| SCHEMBL30066169 | 0.79 | P2RX7 (0.46) | POLBNPC1ALDH1A1RAB9APKM | |
| SCHEMBL24181635 | 0.79 | PSMD14 (0.41) | CYP1A2HIF1ATDP1ALOX15MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022237676-A1 | PREPARATION AND APPLICATION OF SHP2 PHOSPHATASE INHIBITOR | 药雅科技(上海)有限公司 | 2022-11-17 | — | — | WO | disclosed |
| CN-115340559-A | Preparation and application of SHP2 phosphatase heterocyclic inhibitor | 药雅科技(上海)有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-115340561-A | Preparation and application of SHP2 phosphatase fused ring inhibitor | 药雅科技(上海)有限公司 | 2022-11-15 | — | — | CN | disclosed |