Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 6/20 | 0.61 |
| ▸ | MIF | P14174 | 1/20 | 0.60 |
| ▸ | TYR | P14679 | 2/20 | 0.59 |
| ▸ | SNCA | P37840 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | MGAM | O43451 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | SI | P14410 | 2/20 | 0.57 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29065213 | 1.00 | CHRNA7 (0.61) | CHRNA7MIFTYRSNCACA1 | |
| SCHEMBL28391865 | 0.93 | MIF (0.68) | CHRNA7MIFTYRCA1CA2 | |
| SCHEMBL344639 | 0.93 | ALDH1A1 (0.64) | CHRNA7MIFTYRSNCACA1 | |
| SCHEMBL28140874 | 0.93 | MIF (0.68) | CHRNA7MIFTYRCA1CA2 | |
| SCHEMBL89187 | 0.93 | MIF (0.68) | CHRNA7MIFTYRCA1CA2 | |
| SCHEMBL344638 | 0.93 | ALDH1A1 (0.64) | CHRNA7MIFTYRSNCACA1 | |
| SCHEMBL29763068 | 0.93 | ALDH1A1 (0.64) | CHRNA7MIFTYRSNCACA1 | |
| SCHEMBL471946 | 0.93 | MIF (0.68) | CHRNA7MIFTYRCA1CA2 | |
| SCHEMBL11461920 | 0.91 | MIF (0.66) | CHRNA7MIFTYRCA1CA2 | |
| SCHEMBL27576656 | 0.91 | MIF (0.66) | CHRNA7MIFTYRCA1CA2 |
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-116482211-A | Mass spectrum technology for accurately identifying ion structure of compound fragment and application thereof | 北京中医药大学 | 2023-07-25 | — | — | CN | disclosed |