Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 5/20 | 0.34 |
| ▸ | CNR2 | P34972 | 5/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29169749 | 1.00 | CYP2D6 (0.37) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788839 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788814 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788857 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788843 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788830 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788846 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788854 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788837 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB | |
| SCHEMBL20788851 | 0.92 | USP2 (0.38) | CYP2D6LMNASPHK1GMNNPOLB |
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-117480150-A | Pelargonic acid ester | 赢创运营有限公司 | 2024-01-30 | — | — | CN | disclosed |