Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 10/20 | 0.39 |
| ▸ | PPARD | Q03181 | 9/20 | 0.39 |
| ▸ | PPARA | Q07869 | 9/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | FABP4 | P15090 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.39 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hexanoate SCHEMBL28425838 | 0.95 | AKR1B1 (0.47) | AKR1B1PPARGPPARDPPARAGPR84 | |
| Decanoic Acid SCHEMBL28894552 | 0.94 | PPARG (0.49) | AKR1B1PPARGPPARDPPARAGPR84 | |
| Octanoic Acid SCHEMBL28420102 | 0.94 | PPARG (0.49) | AKR1B1PPARGPPARDPPARAGPR84 | |
| Adipic Acid SCHEMBL28426972 | 0.92 | LMNA (0.37) | AKR1B1PPARGPPARDPPARAGPR84 | |
| Butyric Acid SCHEMBL28417232 | 0.91 | FFAR3 (0.42) | AKR1B1PPARGPPARDPPARAALDH1A1 | |
| Sebacic Acid SCHEMBL28420104 | 0.91 | TSHR (0.39) | PPARGPPARDPPARAGPR84HDAC11 | |
| Succinic Acid SCHEMBL28427917 | 0.89 | PHF8 (0.34) | LMNA | |
| Propionic Acid SCHEMBL28425835 | 0.85 | FFAR3 (0.36) | — | |
| Acetic Acid SCHEMBL28429931 | 0.80 | — | — | |
| Oxalic Acid SCHEMBL28427918 | 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-111393321-A | Preparation method of 1-cyano-2-propenyl acetate | 山东新和成氨基酸有限公司 | 2020-07-10 | — | — | CN | claimed |
| CN-111393321-A | Preparation method of 1-cyano-2-propenyl acetate | 山东新和成氨基酸有限公司 | 2020-07-10 | — | — | CN | disclosed |