Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6888048 | 0.86 | HSD17B1 (0.53) | NPC1RAB9ATP53MAPT | |
| SCHEMBL12924133 | 0.85 | NPC1 (0.52) | NPC1RAB9ATP53LMNAMAPT | |
| SCHEMBL27212334 | 0.85 | JMJD6 (0.58) | NPC1RAB9AHPGD | |
| SCHEMBL2009526 | 0.85 | HPGDS (0.64) | NPC1RAB9ALMNAMAPTGABRA5 | |
| SCHEMBL851716 | 0.84 | NPC1 (0.51) | NPC1RAB9ATP53LMNAMAPT | |
| SCHEMBL29597981 | 0.84 | MAPK1 (0.50) | NPC1RAB9AMAPTGABRG2GABRB3 | |
| SCHEMBL5898127 | 0.84 | MAPK1 (0.50) | NPC1RAB9AMAPTGABRG2GABRB3 | |
| SCHEMBL1222552 | 0.84 | NPC1 (0.62) | NPC1RAB9ATP53LMNAMAPT | |
| SCHEMBL1279515 | 0.83 | LMNA (0.51) | NPC1RAB9ATP53LMNAMAPT | |
| SCHEMBL1749621 | 0.83 | NPC1 (0.46) | NPC1RAB9ATP53LMNAMAPT |
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-112048734-B | Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic ester | 四川大学 | 2022-06-10 | — | — | CN | disclosed |