Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.84 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL272801 | 0.92 | ESR1 (1.00) | ESR1ESR2CYP3A4AR | |
| SCHEMBL28036464 | 0.89 | ESR1 (0.85) | ESR1ESR2ALDH1A1CYP3A4AR | |
| SCHEMBL5962549 | 0.87 | ESR1 (0.60) | ESR1ESR2ARKIF11 | |
| Hydrochloric Acid SCHEMBL7846326 | 0.85 | ESR1 (0.58) | ESR1ESR2CYP3A4AR | |
| Hydrochloric Acid SCHEMBL7839134 | 0.85 | ESR1 (0.58) | ESR1ESR2CYP3A4AR | |
| SCHEMBL6561244 | 0.84 | ESR1 (0.92) | ESR1ESR2AR | |
| SCHEMBL312177 | 0.84 | ESR1 (0.59) | ESR1ESR2ALDH1A1CYP3A4KIF11 | |
| SCHEMBL28757107 | 0.84 | ESR1 (0.59) | ESR1ESR2ALDH1A1CYP3A4KIF11 | |
| SCHEMBL1334149 | 0.83 | ESR1 (0.83) | ESR1ESR2CYP3A4AR | |
| SCHEMBL28613436 | 0.83 | ESR1 (0.83) | ESR1ESR2ALDH1A1CYP3A4AR |
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-105102422-A | Method for producing isocyanate | ASAHI KASEI CHEMICALS CORP | 2015-11-25 | — | — | CN | disclosed |