Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11482764 | 0.79 | KMT2A (0.53) | ALDH1A1KMT2AMAPK1MAPTSMN1; SMN2 | |
| SCHEMBL7422328 | 0.78 | KMT2A (0.64) | ALDH1A1KMT2AMAPK1TDP1MAPT | |
| SCHEMBL3899542 | 0.77 | KMT2A (0.47) | ALDH1A1KMT2AMAPK1MAPTSMN1; SMN2 | |
| SCHEMBL27709189 | 0.74 | MAPK1 (0.56) | ALDH1A1KMT2AMAPK1TDP1MAPT | |
| SCHEMBL26247562 | 0.73 | MAPT (0.61) | ALDH1A1KMT2AMAPK1TDP1MAPT | |
| SCHEMBL5461521 | 0.73 | PKM (0.61) | ALDH1A1KMT2AMAPK1MAPTSMN1; SMN2 | |
| SCHEMBL10807034 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KMT2AMAPK1MAPTSMN1; SMN2 | |
| SCHEMBL7423210 | 0.71 | ALDH1A1 (0.55) | ALDH1A1MAPK1LMNAKEAP1NFE2L2 | |
| SCHEMBL7000752 | 0.70 | KEAP1 (0.66) | ALDH1A1KMT2AMAPK1MAPTMEN1 | |
| SCHEMBL27709193 | 0.70 | HSD11B1 (0.43) | ALDH1A1KMT2AMAPK1TDP1SMN1; SMN2 |
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-105777746-B | The preparation method of simultaneously [3,4 d] pyrimidine derivatives of 5,6,7,8 tetrahydropyridines with antifungal activity | 河南师范大学 | 2018-03-20 | — | — | CN | claimed |