Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 2/20 | 0.39 |
| ▸ | F10 | P00742 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28824007 | 0.86 | NPC1 (0.39) | ALDH1A1MAPK1NPC1HSP90AA1NFKB1 | |
| SCHEMBL28823984 | 0.85 | BRS3 (0.43) | NPC1HSP90AA1NFKB1RAB9ANFKB2 | |
| SCHEMBL28824102 | 0.84 | MAPK9 (0.46) | ALDH1A1NPC1HSP90AA1NFKB1RAB9A | |
| SCHEMBL28824030 | 0.84 | DHODH (0.48) | ALDH1A1NPC1HSP90AA1NFKB1RAB9A | |
| SCHEMBL28824037 | 0.84 | MCL1 (0.46) | ALDH1A1NPC1HSP90AA1NFKB1RAB9A | |
| SCHEMBL28824043 | 0.84 | KMT2A (0.49) | ALDH1A1NPC1HSP90AA1NFKB1RAB9A | |
| SCHEMBL29851972 | 0.82 | TSHR (0.44) | ALDH1A1SMN1; SMN2MEN1KMT2AGAA | |
| SCHEMBL28824022 | 0.82 | F10 (0.56) | F2F10PRSS1PRSS2PRSS3 | |
| SCHEMBL28824097 | 0.82 | BCAT2 (0.53) | ALDH1A1NPC1HSP90AA1NFKB1RAB9A | |
| SCHEMBL28824079 | 0.82 | NPC1 (0.40) | NPC1HSP90AA1NFKB1RAB9ANFKB2 |
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-114929676-A | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 紫丁香疗法有限公司 | 2022-08-19 | — | — | CN | disclosed |