Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 7/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16874691 | 0.83 | MAOB (0.52) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL16874554 | 0.83 | MAOB (0.52) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL16874553 | 0.83 | MAOB (0.52) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL28835126 | 0.82 | MAOB (0.51) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL20869231 | 0.81 | TP53 (0.41) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL21964488 | 0.79 | MRGPRX4 (0.51) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL16874764 | 0.78 | TP53 (0.46) | LMNAMAOBMAOARAB9AMAPT | |
| SCHEMBL28580157 | 0.77 | KDM1A (0.43) | CYP2C19MAOBMAOAKDM1A | |
| SCHEMBL10272647 | 0.76 | MRGPRX4 (0.64) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL19917392 | 0.75 | LMNA (0.40) | LMNACYP1A2PTGS1SLC6A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113072420-B | 2-aryl substituted gem-difluoro cyclobutane compounds and preparation method thereof | 中山大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-113072420-A | 2-aryl substituted gem-difluoro cyclobutane compounds and preparation method thereof | 中山大学 | 2021-07-06 | — | — | CN | disclosed |