Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL29236530 | 1.00 | ALDH1A1 (0.47) | ALDH1A1DNMT1KMT2ABCHECES1 | |
| SCHEMBL24298879 | 0.85 | MAPT (0.50) | ALDH1A1KMT2ARAB9ANPC1MAPT | |
| SCHEMBL29236534 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KMT2AMAPK1L3MBTL1MAPT | |
| SCHEMBL29236536 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KMT2AMAPK1L3MBTL1MAPT | |
| SCHEMBL9773949 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KMT2AMAPK1RAB9ACASP3 | |
| SCHEMBL29236539 | 0.81 | RPS6KA2 (0.52) | ALDH1A1KMT2ABCHECES1MAPK1 | |
| SCHEMBL29236538 | 0.81 | RPS6KA2 (0.52) | ALDH1A1KMT2ABCHECES1MAPK1 | |
| SCHEMBL29236529 | 0.80 | CASP3 (0.53) | ALDH1A1KMT2AMAPK1RAB9ANPC1 | |
| SCHEMBL29236527 | 0.80 | CASP3 (0.53) | ALDH1A1KMT2AMAPK1RAB9ANPC1 | |
| SCHEMBL29236545 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KMT2AMAPK1RAB9ANPC1 |
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-118184477-A | Method for preparing chiral amino alcohol compound by catalyzing amino ketone with nickel metal by using water as hydrogen source | 云南民族大学 | 2024-06-14 | — | — | CN | disclosed |