Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Acrylic Acid Ethyl Ester SCHEMBL5992627 | 0.98 | TSHR (0.43) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL28085458 | 0.84 | TSHR (0.54) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL10658729 | 0.82 | TSHR (0.42) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL3180 | 0.82 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL8159679 | 0.82 | TSHR (0.60) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL9557413 | 0.82 | TSHR (0.60) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL23607549 | 0.80 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL4653222 | 0.80 | TSHR (0.58) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid Ethyl Ester SCHEMBL2243109 | 0.80 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL2482159 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114736146-A | Preparation method of novel 1-methylpyrrolidine-2-acrylic acid | 重庆医药高等专科学校 | 2022-07-12 | — | — | CN | claimed |
| CN-114736146-A | Preparation method of novel 1-methylpyrrolidine-2-acrylic acid | 重庆医药高等专科学校 | 2022-07-12 | — | — | CN | disclosed |