Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.46 |
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 5/20 | 0.36 |
| ▸ | PPARD | Q03181 | 5/20 | 0.36 |
| ▸ | PPARA | Q07869 | 5/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.36 |
| ▸ | TLR2 | O60603 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL182305 | 0.87 | CES1 (0.52) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL11270109 | 0.80 | CES2 (0.55) | CES1CES2ALDH1A1TSHRAKR1B1 | |
| SCHEMBL19978050 | 0.80 | — | — | |
| SCHEMBL1602926 | 0.79 | — | — | |
| Methacrylic Acid SCHEMBL998441 | 0.79 | THRB (0.45) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL8719599 | 0.78 | CES2 (0.56) | CES1CES2ALDH1A1TSHRAKR1B1 | |
| SCHEMBL182418 | 0.78 | CES2 (0.56) | CES1CES2ALDH1A1TSHRAKR1B1 | |
| SCHEMBL11511121 | 0.78 | CES2 (0.56) | CES1CES2ALDH1A1TSHRAKR1B1 | |
| Acetic Acid SCHEMBL9743317 | 0.76 | THRB (0.47) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL1353582 | 0.76 | CES1 (0.47) | CES1CES2ALDH1A1TP53CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9299934-B2 | Polymer for organic electroluminescent elements, and organic electroluminescent element using cured product of same | NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) | 2016-03-29 | — | — | US | disclosed |