Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1742816 | 0.82 | SLC6A3 (0.46) | SLC6A3PTGS2PTGS1SLC6A2KDM4E | |
| SCHEMBL16060235 | 0.82 | FGF23 (0.38) | SLC6A3PTGS2SLC6A2KDM4EALDH1A1 | |
| SCHEMBL2483338 | 0.81 | SLC6A3 (0.47) | SLC6A3PTGS2PTGS1SLC6A2KDM4E | |
| SCHEMBL1957416 | 0.81 | SLC6A3 (0.47) | SLC6A3PTGS2PTGS1SLC6A2KDM4E | |
| SCHEMBL1958237 | 0.81 | SLC6A3 (0.47) | SLC6A3PTGS2PTGS1SLC6A2KDM4E | |
| SCHEMBL1957330 | 0.78 | SLC6A3 (0.46) | SLC6A3PTGS2PTGS1SLC6A2 | |
| SCHEMBL25254777 | 0.74 | PTGS2 (0.43) | SLC6A3PTGS2PTGS1GFER | |
| SCHEMBL19839299 | 0.74 | PTGS2 (0.40) | SLC6A3PTGS2PTGS1SLC6A2GFER | |
| SCHEMBL25215204 | 0.73 | BCL2L1 (0.51) | SLC6A3PTGS2PTGS1SLC6A2GFER | |
| SCHEMBL21098687 | 0.72 | CHKA (0.53) | KDM4EALDH1A1HTTSMN1; SMN2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4194454-A1 | HETEROCYCLIC COMPOUND AS BCL-2 INHIBITOR | Beijing InnoCare Pharma Tech Co., Ltd. (CN) | 2023-06-14 | — | — | EP | disclosed |