Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MYB | P10242 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28262324 | 0.87 | TDP1 (0.43) | TDP1MAPK1ALDH1A1CYP3A4ABCB1 | |
| SCHEMBL8927301 | 0.84 | APP (0.41) | TDP1MAPK1ALDH1A1CYP3A4ABCB1 | |
| SCHEMBL28396276 | 0.82 | APP (0.42) | TDP1MAPK1ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL10708276 | 0.82 | TDP1 (0.61) | TDP1MAPK1ALDH1A1CYP3A4APP | |
| SCHEMBL28396439 | 0.81 | NR4A1 (0.51) | TDP1MAPK1ALDH1A1CYP3A4ABCB1 | |
| SCHEMBL21979758 | 0.79 | ALDH1A1 (0.41) | TDP1MAPK1ALDH1A1CYP3A4ABCB1 | |
| SCHEMBL6081872 | 0.78 | ALDH1A1 (0.42) | TDP1ALDH1A1CYP3A4CYP1A2THRB | |
| SCHEMBL6761808 | 0.76 | ALDH1A1 (0.41) | TDP1ALDH1A1CYP3A4CYP1A2THRB | |
| SCHEMBL9242278 | 0.76 | ALDH1A1 (0.41) | TDP1MAPK1ALDH1A1CYP3A4ABCB1 | |
| SCHEMBL13316964 | 0.76 | EGFR (0.39) | TDP1ALDH1A1ABCB1TUBB3KEAP1 |
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-108863824-B | Diamine monomer containing asymmetric fluorophore structure and preparation method and application thereof | 吉林大学 | 2020-02-07 | — | — | CN | disclosed |