Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1779268 | 1.00 | PRKCI (0.53) | PRKCICYP2A6CDC7ENPP3CHRNA7 | |
| SCHEMBL12704851 | 0.86 | PRKCI (0.47) | PRKCICYP2A6CHRNA7CACNA1HHSD11B1 | |
| SCHEMBL30089263 | 0.85 | CYP2A6 (0.49) | PRKCICYP2A6CDC7KDM4EALDH1A1 | |
| SCHEMBL506374 | 0.85 | CYP2A6 (0.49) | PRKCICYP2A6CDC7KDM4EALDH1A1 | |
| SCHEMBL3580819 | 0.81 | PRKCI (0.53) | PRKCICYP2A6CDC7CHRNA7PIK3CB | |
| SCHEMBL6967613 | 0.81 | PRKCI (0.53) | PRKCICYP2A6CHRNA7KDM4EPIK3CB | |
| SCHEMBL28315634 | 0.78 | P2RX7 (0.50) | CDC7ENPP3P2RX7 | |
| SCHEMBL28835066 | 0.77 | CDC7 (0.47) | CYP2A6CDC7ENPP3KDM4EALDH1A1 | |
| SCHEMBL28871132 | 0.77 | CDC7 (0.47) | CYP2A6CDC7ENPP3KDM4EALDH1A1 | |
| SCHEMBL3226889 | 0.77 | CDC7 (0.50) | CYP2A6CDC7ENPP3KDM4EALDH1A1 |
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-115974839-B | AChE/SERT double-target inhibitor and preparation method and application thereof | 珠海市藤栢医药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-114292260-A | Substituted piperidine multi-target compounds and uses thereof | 华东理工大学 | 2022-04-08 | — | — | CN | disclosed |