Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28065794 | 0.84 | NPC1 (0.50) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL30421806 | 0.84 | NPC1 (0.48) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL8708785 | 0.77 | PABPC1 (0.48) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL2698205 | 0.76 | PABPC1 (0.50) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL12049554 | 0.76 | HTT (0.50) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL9924303 | 0.76 | HTT (0.50) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL1163268 | 0.76 | NPC1 (0.49) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL1163248 | 0.76 | HTT (0.50) | ALDH1A1NPC1POLBMAPTHTT | |
| Hydrochloric Acid SCHEMBL3590574 | 0.75 | PABPC1 (0.49) | ALDH1A1NPC1POLBMAPTHTT | |
| SCHEMBL9910478 | 0.75 | NPC1 (0.48) | ALDH1A1NPC1POLBMAPTHTT |
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-110642784-B | Quinoline bis-quaternary ammonium salt type pickling corrosion inhibitor and preparation method thereof | 山西大学 | 2022-09-20 | — | — | CN | disclosed |