Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MET | P08581 | 3/20 | 0.48 |
| ▸ | HTR6 | P50406 | 13/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | HTR1F | P30939 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28735134 | 0.86 | L3MBTL1 (0.59) | CYP2C19HTR6PKML3MBTL1MEN1 | |
| SCHEMBL414843 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL29941031 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL29959107 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL1672537 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL17628860 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL13014082 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL1683430 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL457569 | 0.82 | CYP2C19 (0.58) | CYP2C19METHTR6PKML3MBTL1 | |
| SCHEMBL30135143 | 0.81 | CYP2C19 (0.51) | CYP2C19METHTR6PKML3MBTL1 |
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-115215861-B | Aromatic heterocycle substituted alkyne compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-115215861-A | Aromatic heterocycle substituted alkyne compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |
| WO-2022117075-A1 | AZACYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 广州费米子科技有限责任公司 | 2022-06-09 | — | — | WO | disclosed |
| CN-109053742-B | Novel tricyclic compounds | ABBVIE 公司 | 2021-06-15 | — | — | CN | disclosed |