Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | BACE1 | P56817 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | CIT | O14578 | 1/20 | 0.53 |
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.53 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 3/20 | 0.51 |
| ▸ | CTSC | P53634 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085745 | 1.00 | MAPK1 (0.63) | MAPK1NPSR1BACE1ALDH1A1KMT2A | |
| SCHEMBL29002157 | 1.00 | MAPK1 (0.63) | MAPK1NPSR1BACE1ALDH1A1KMT2A | |
| SCHEMBL28279157 | 0.89 | BACE1 (0.63) | BACE1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL2312361 | 0.89 | BACE1 (0.63) | BACE1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL2312372 | 0.89 | BACE1 (0.63) | BACE1KMT2AMEN1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL5960990 | 0.87 | HDAC8 (0.65) | BACE1KMT2AMEN1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL5960992 | 0.87 | HDAC8 (0.65) | BACE1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL30453040 | 0.87 | BACE1 (0.52) | MAPK1NPSR1BACE1ALDH1A1HDAC8 | |
| SCHEMBL20335115 | 0.86 | NPSR1 (0.52) | MAPK1NPSR1BACE1ALDH1A1KMT2A | |
| SCHEMBL7035589 | 0.85 | GPR142 (0.57) | MAPK1NPSR1BACE1KMT2AMEN1 |
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-112601734-B | Oximino naphthoquinone compound and preparation method and application thereof | 普济生物科技（台州）有限公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-105732413-B | The synthesis technique of chiral N aryl amino acids acid amides | 成都理工大学 | 2017-08-25 | — | — | CN | disclosed |
| CN-105732413-A | Synthetic process of chiral N-aromatic amino acid amide | 成都理工大学 | 2016-07-06 | — | — | CN | disclosed |