Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25907988 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL29081300 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| SCHEMBL14963942 | 0.83 | MAPT (0.39) | CYP3A4CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL24233794 | 0.83 | MAPT (0.39) | CYP3A4CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL25321512 | 0.83 | MAPT (0.39) | CYP3A4CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL25334787 | 0.82 | CYP2A6 (0.34) | — | |
| SCHEMBL24363974 | 0.81 | KCNH2 (0.37) | TSHRTDP1KDM1AKCNH2ESR2 | |
| SCHEMBL24233839 | 0.81 | DRD2 (0.36) | ALDH1A1ESR2 | |
| SCHEMBL24363851 | 0.81 | KCNH2 (0.37) | TSHRTDP1KDM1AKCNH2ESR2 | |
| SCHEMBL31145247 | 0.81 | ESR2 (0.53) | CYP3A4CYP2C9CYP2C19MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116568677-A | piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers | 探戈医药股份有限公司 | 2023-08-08 | — | — | CN | disclosed |