Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5497723 | 0.76 | NAALAD2 (0.44) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL14314438 | 0.71 | NAALAD2 (0.38) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL10722886 | 0.65 | ALDH1A1 (0.44) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL9479833 | 0.63 | HMGCR (0.44) | ALDH1A1CYP3A4PKMCYP2C9TSHR | |
| SCHEMBL15100349 | 0.62 | NAALAD2 (0.50) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL11529406 | 0.62 | NAALAD2 (0.50) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL120318 | 0.62 | — | — | |
| SCHEMBL11565232 | 0.62 | NAALAD2 (0.45) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL3993911 | 0.62 | NAALAD2 (0.50) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL758701 | 0.62 | NAALAD2 (0.45) | NAALAD2ALDH1A1ESR1CYP3A4ESR2 |
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-104016971-B | Antiviral compound | PHARMASSET INC. (US) | 2016-05-25 | — | — | CN | disclosed |