Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.64 |
| ▸ | RAB9A | P51151 | 6/20 | 0.64 |
| ▸ | GAA | P10253 | 5/20 | 0.63 |
| ▸ | TP53 | P04637 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL27922936 | 0.86 | GAA (0.70) | ALDH1A1RAB9AGAATP53SMN1; SMN2 | |
| SCHEMBL5179768 | 0.82 | MAPT (0.75) | ALDH1A1RAB9AGAASMN1; SMN2MAPT | |
| SCHEMBL5545056 | 0.81 | HSD17B10 (0.69) | ALDH1A1RAB9AGAASMN1; SMN2POLB | |
| SCHEMBL28638736 | 0.81 | GAA (0.73) | ALDH1A1RAB9AGAASMN1; SMN2MAPT | |
| SCHEMBL28636036 | 0.81 | NPC1 (0.68) | ALDH1A1GAASMN1; SMN2MAPTLMNA | |
| SCHEMBL28641144 | 0.81 | ALDH1A1 (0.61) | ALDH1A1RAB9AGAASMN1; SMN2MAPT | |
| SCHEMBL9453941 | 0.81 | MEN1 (0.77) | ALDH1A1RAB9AGAASMN1; SMN2MAPT | |
| SCHEMBL30557461 | 0.81 | MEN1 (0.77) | ALDH1A1RAB9AGAASMN1; SMN2MAPT | |
| SCHEMBL28631962 | 0.81 | KMT2A (0.63) | ALDH1A1RAB9ATP53SMN1; SMN2MAPT | |
| SCHEMBL28651984 | 0.80 | ALDH1A1 (0.64) | ALDH1A1RAB9AGAASMN1; SMN2MAPT |
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 |