Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 5/20 | 0.49 |
| ▸ | GPR6 | P46095 | 1/20 | 0.46 |
| ▸ | MDM4 | O15151 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30082269 | 1.00 | P2RX7 (0.50) | P2RX7GRM4GPR6MDM4TP53 | |
| SCHEMBL29050799 | 0.81 | MDM4 (0.47) | P2RX7GPR6MDM4TP53MDM2 | |
| SCHEMBL30763135 | 0.79 | MCL1 (0.66) | P2RX7GRM4GPR6MCL1MEN1 | |
| SCHEMBL9901399 | 0.79 | MCL1 (0.66) | P2RX7GRM4GPR6MCL1MEN1 | |
| SCHEMBL22659481 | 0.76 | NPC1 (0.51) | P2RX7GRM4GPR6BRD4BRPF1 | |
| SCHEMBL27965599 | 0.75 | NPC1 (0.56) | P2RX7GRM4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29050806 | 0.75 | KDR (0.43) | MEN1KMT2AGSK3A | |
| SCHEMBL20302273 | 0.75 | RAB9A (0.65) | P2RX7GRM4GPR6MEN1KMT2A | |
| SCHEMBL24389088 | 0.74 | TP53 (0.72) | MDM4TP53MDM2MEN1KMT2A | |
| SCHEMBL29604506 | 0.74 | TP53 (0.72) | MDM4TP53MDM2MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |