Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL29265197 | 0.82 | CYP1A2 (0.38) | SMN1; SMN2CYP1A2TDP1CYP2D6USP2 | |
| SCHEMBL22758549 | 0.77 | SMN1; SMN2 (0.42) | SMN1; SMN2CYP1A2TDP1CYP2D6USP2 | |
| SCHEMBL29004463 | 0.75 | CYP2D6 (0.41) | SMN1; SMN2CYP1A2CYP2D6USP2TSHR | |
| SCHEMBL12045659 | 0.74 | CYP1A2 (0.43) | SMN1; SMN2CYP1A2TDP1CYP2D6USP2 | |
| SCHEMBL19028077 | 0.73 | NPSR1 (0.30) | — | |
| SCHEMBL28330506 | 0.73 | — | — | |
| SCHEMBL29265193 | 0.71 | CYP2D6 (0.35) | SMN1; SMN2CYP1A2TDP1CYP2D6USP2 | |
| SCHEMBL13804292 | 0.70 | CYP1A2 (0.43) | SMN1; SMN2CYP1A2TDP1CYP2D6USP2 | |
| SCHEMBL28996429 | 0.69 | CYP1A2 (0.39) | SMN1; SMN2CYP1A2TDP1CYP2D6USP2 | |
| SCHEMBL28363056 | 0.68 | — | — |
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-113766953-B | N-acyl- {4- [ (4-aryl-phenyl) sulfonylmethyl ] piperidine } compounds and their therapeutic uses | 现代生物科学有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-113766953-A | N-acyl- {4- [ (4-aryl-phenyl) sulfonylmethyl ] piperidine } compounds and their therapeutic use | 现代生物科学有限公司 | 2021-12-07 | — | — | CN | disclosed |