Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 8/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23189039 | 0.89 | MAPT (0.44) | TP53RAB9ANPSR1CRBNPKM | |
| SCHEMBL14555362 | 0.82 | AHR (0.47) | TP53RAB9ANPSR1PKMALDH1A1 | |
| SCHEMBL22958360 | 0.81 | CYP11B1 (0.40) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL30893019 | 0.81 | SRD5A1 (0.40) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL434004 | 0.77 | NPC1 (0.50) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Hydrochloric Acid SCHEMBL29961795 | 0.76 | NPC1 (0.48) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL852124 | 0.73 | PARP1 (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL21493568 | 0.73 | CA9 (0.33) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL23189074 | 0.73 | TP53 (0.32) | TP53CRBNALDH1A1TDP2NSD2 | |
| SCHEMBL158585 | 0.72 | CRBN (0.40) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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-117897370-A | Heterocyclic compounds and their use | 凯悦施那有限公司 | 2024-04-16 | — | — | CN | disclosed |