Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28545142 | 0.85 | NPC1 (0.40) | KDM4EALDH1A1AKT1AKT2TSHR | |
| SCHEMBL21936043 | 0.84 | KDM4E (0.43) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 | |
| SCHEMBL21936038 | 0.82 | ALDH1A1 (0.41) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 | |
| SCHEMBL17434496 | 0.82 | HDAC1 (0.44) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 | |
| SCHEMBL23970361 | 0.81 | KDM4E (0.42) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 | |
| SCHEMBL23970362 | 0.78 | CYP11B1 (0.44) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 | |
| SCHEMBL31091944 | 0.77 | AKT1 (0.43) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 | |
| SCHEMBL1691856 | 0.76 | AKT1 (0.47) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 | |
| SCHEMBL21936309 | 0.75 | MRGPRX4 (0.42) | KDM4EALDH1A1SMN1; SMN2HSD17B10HTT | |
| SCHEMBL21936122 | 0.75 | ALDH1A1 (0.37) | KDM4EALDH1A1SMN1; SMN2HSD17B10AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112601745-B | Azaaryl amide derivative and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-112601745-A | Azaaryl amide derivative and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2021-04-02 | — | — | CN | disclosed |
| WO-2020082921-A1 | NITROGEN HETEROARYL AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海和誉生物医药科技有限公司 | 2020-04-30 | — | — | WO | disclosed |