Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 3/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21845236 | 0.80 | PTPN11 (0.49) | PTPN11CYP1A2CYP2D6TSHRCYP2C9 | |
| SCHEMBL21887220 | 0.76 | PTPN11 (0.46) | PTPN11KDM1ACHRM2CHRM1KCNH2 | |
| SCHEMBL21887245 | 0.76 | PTPN11 (0.46) | PTPN11CYP2D6MEN1KMT2ACXCR4 | |
| SCHEMBL21383813 | 0.75 | KDM1A (0.53) | KDM1AMAOBSLC6A4SIGMAR1SLC6A2 | |
| SCHEMBL29993139 | 0.75 | KDM1A (0.53) | KDM1AMAOBSLC6A4SIGMAR1SLC6A2 | |
| SCHEMBL21920651 | 0.75 | KDM1A (0.53) | KDM1AMAOBSLC6A4SIGMAR1SLC6A2 | |
| SCHEMBL23660760 | 0.73 | PTPN11 (0.44) | PTPN11KDM1ASIGMAR1KCNH2 | |
| SCHEMBL23657123 | 0.72 | — | — | |
| SCHEMBL22495568 | 0.72 | — | — | |
| SCHEMBL29770951 | 0.72 | — | — |
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-116003321-A | Novel heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2023-04-25 | — | — | CN | disclosed |
| CN-115969853-A | Novel heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-115721648-A | Novel heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2023-03-03 | — | — | CN | disclosed |
| CN-112174935-B | Heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-112409334-B | Heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2022-12-02 | — | — | CN | disclosed |