Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | NPC1 | O15118 | 7/20 | 0.68 |
| ▸ | POLB | P06746 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.60 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29944526 | 0.91 | NPC1 (0.77) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL5142389 | 0.91 | NPC1 (0.77) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL4960580 | 0.85 | NPC1 (0.77) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL8402849 | 0.84 | NPC1 (0.70) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL2638441 | 0.84 | NPC1 (0.70) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL27599014 | 0.84 | NPC1 (0.70) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL2638443 | 0.84 | HDAC6 (0.72) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL4858749 | 0.84 | NPC1 (0.70) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL21296585 | 0.84 | NPC1 (0.70) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 | |
| SCHEMBL6115640 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP1A2TSHRHSD17B10 |
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 6 patents. 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 | claimed |
| CN-110642784-A | Quinoline bis-quaternary ammonium salt type pickling corrosion inhibitor and preparation method thereof | 山西大学 | 2020-01-03 | — | — | CN | claimed |
| 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 |
| 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 |
| CN-110642784-A | Quinoline bis-quaternary ammonium salt type pickling corrosion inhibitor and preparation method thereof | 山西大学 | 2020-01-03 | — | — | CN | disclosed |
| CN-110642784-A | Quinoline bis-quaternary ammonium salt type pickling corrosion inhibitor and preparation method thereof | 山西大学 | 2020-01-03 | — | — | CN | disclosed |