Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL27718365 | 0.96 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Ethyl Ester SCHEMBL932952 | 0.95 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Ethyl Ester SCHEMBL4305301 | 0.95 | ALDH1A1 (0.71) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Ethyl Ester SCHEMBL5975237 | 0.93 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Methyl Ester SCHEMBL1702954 | 0.93 | ALDH1A1 (0.73) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Methyl Ester SCHEMBL29136564 | 0.92 | ALDH1A1 (0.71) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Methyl Ester SCHEMBL28071981 | 0.92 | ALDH1A1 (0.71) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Methyl Ester SCHEMBL931555 | 0.92 | ALDH1A1 (0.71) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Methyl Ester SCHEMBL28259844 | 0.91 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TP53THRBTSHR | |
| Acrylic Acid Methyl Ester SCHEMBL28500509 | 0.90 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TP53THRBTSHR |
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-102627753-B | Comprise the epoxy resin of cycloalphatic diamine curing agent | 陶氏环球技术有限责任公司 | 2017-03-01 | — | — | CN | disclosed |