Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL21676483 | 0.97 | ACHE (0.35) | ACHEOPRD1ALDH1A1LMNAGAA | |
| Bromide SCHEMBL3973552 | 0.94 | ACHE (0.33) | ACHEOPRD1ALDH1A1LMNAGAA | |
| SCHEMBL8519792 | 0.82 | BACE1 (0.38) | — | |
| SCHEMBL3252234 | 0.72 | — | — | |
| SCHEMBL10029713 | 0.71 | CA12 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL9520875 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL4865616 | 0.69 | KDM1A (0.33) | ACHEALDH1A1 | |
| SCHEMBL30733635 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28105688 | 0.69 | KDM1A (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL27750436 | 0.69 | ALDH1A1 (0.33) | ALDH1A1LMNAL3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117186092-A | Ring-fused compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-112654622-B | Ring-fused compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-112654622-A | Fused ring compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-04-13 | — | — | CN | disclosed |
| EP-1061926-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999047132-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-09-23 | — | — | WO | disclosed |
| US-4255553-A | COMPRISING A COMPOUND HAVING AT LEAST TWO EPOXY GROUPS, A POLYESTER OR ACRYLIC RESIN, AND A QUARTERNARY AMMONIUM CARBOXYLATE AS CATALYST | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 1981-03-10 | — | — | US | disclosed |