Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6631895 | 0.89 | MEN1 (0.45) | CYP1A2ALDH1A1CYP3A4HIF1AMAPT | |
| SCHEMBL27504682 | 0.81 | NCF1 (0.41) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL8329989 | 0.80 | ALDH1A1 (0.50) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL8907421 | 0.79 | NCF1 (0.52) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1591841 | 0.79 | NCF1 (0.52) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL16151154 | 0.78 | LOXL2 (0.45) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL5402382 | 0.77 | LOXL2 (0.41) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL7379914 | 0.76 | ALDH1A1 (0.44) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL7379919 | 0.76 | LOXL2 (0.44) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL263407 | 0.76 | LOXL2 (0.50) | NCF1CYP1A2ALDH1A1CYP3A4CYP2D6 |
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-101595217-B | Positively charged water-soluble prodrugs of 1H-imidazo [4,5-c ] quinolin-4-amines and related compounds with fast skin penetration rate | 于崇曦 | 2016-06-08 | — | — | CN | disclosed |