Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.80 |
| ▸ | MAPT | P10636 | 11/20 | 0.80 |
| ▸ | GAA | P10253 | 9/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.80 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 6/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.64 |
| ▸ | LMNA | P02545 | 5/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | HTT | P42858 | 4/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.64 |
| ▸ | IDO1 | P14902 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083939 | 0.83 | MAPT (0.68) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL7175227 | 0.83 | MAPT (0.86) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL28924353 | 0.82 | EPHX2 (0.56) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL28638736 | 0.81 | GAA (0.73) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL21972744 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL22567749 | 0.79 | MAPT (0.78) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL22567938 | 0.79 | MAPT (0.78) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL1346518 | 0.78 | ALDH1A1 (0.75) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL6816137 | 0.78 | IDO1 (0.63) | ALDH1A1MAPTGAATDP1NPSR1 | |
| SCHEMBL28635159 | 0.78 | ALDH1A1 (0.64) | ALDH1A1MAPTGAANPSR1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113480524-A | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2021-10-08 | — | — | CN | claimed |
| CN-113480524-B | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-113480524-A | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2021-10-08 | — | — | CN | disclosed |