Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.47 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.47 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | DTYMK | P23919 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20511867 | 1.00 | OPRD1 (0.49) | OPRD1OPRK1GPR119TSHRSMARCA2 | |
| SCHEMBL23509000 | 0.80 | DTYMK (0.46) | OPRD1OPRK1GPR119TSHRSMARCA2 | |
| SCHEMBL1912719 | 0.80 | USP30 (0.47) | GPR119TSHRSMARCA2SMARCA4PBRM1 | |
| SCHEMBL20439500 | 0.79 | TSHR (0.47) | OPRD1OPRK1GPR119TSHRSMARCA2 | |
| SCHEMBL22792490 | 0.79 | MAPK1 (0.47) | GPR119TSHRSMARCA2SMARCA4PBRM1 | |
| SCHEMBL21397530 | 0.79 | HDAC3 (0.45) | GPR119TSHRALOX15ATMPDK2 | |
| SCHEMBL22792695 | 0.79 | SIGMAR1 (0.61) | GPR119TSHRALOX15PDK4USP30 | |
| SCHEMBL23024326 | 0.79 | BACE1 (0.45) | GPR119TSHRSMARCA2SMARCA4PBRM1 | |
| SCHEMBL12084755 | 0.79 | PDK2 (0.47) | OPRD1OPRK1GPR119TSHRSMARCA2 | |
| SCHEMBL29637645 | 0.79 | BACE1 (0.45) | GPR119TSHRSMARCA2SMARCA4PBRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |