Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25004893 | 1.00 | CYP1A2 (0.38) | CYP1A2ADORA2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29924291 | 0.90 | PTGER4 (0.35) | MAPT | |
| SCHEMBL29924247 | 0.81 | PDE2A (0.41) | MAPTKDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL25005481 | 0.81 | PDE2A (0.41) | MAPTKDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL30882773 | 0.77 | LMNA (0.35) | ADORA2A | |
| SCHEMBL25005199 | 0.77 | LMNA (0.35) | ADORA2A | |
| SCHEMBL23980939 | 0.76 | GLP1R (0.41) | CYP1A2KDM4EALDH1A1GAATSHR | |
| SCHEMBL30080196 | 0.76 | GLP1R (0.41) | CYP1A2KDM4EALDH1A1GAATSHR | |
| SCHEMBL25340079 | 0.72 | ACSS2 (0.43) | KDM4EALDH1A1 | |
| SCHEMBL29946034 | 0.72 | ACSS2 (0.43) | KDM4EALDH1A1 |
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-117177970-A | Polycyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-05 | — | — | CN | disclosed |
| WO-2023011539-A1 | CYCLOALKENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2023-02-09 | — | — | WO | disclosed |
| WO-2022228490-A1 | POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2022-11-03 | — | — | WO | disclosed |