Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | PTGER2 | P43116 | 6/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PTGIR | P43119 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| (-)-Jasmonic Acid SCHEMBL28200590 | 0.84 | AKR1C4 (0.60) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL15527812 | 0.84 | AKR1C4 (0.60) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL15527810 | 0.84 | AKR1C4 (0.60) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL36184 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL1301885 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL23196389 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL2496795 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL14446250 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| Methyl Jasmonate SCHEMBL14446196 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 | |
| (-)-Jasmonic Acid SCHEMBL36186 | 0.80 | AKR1C4 (0.72) | AKR1C4AKR1C3AKR1C2PTGER2PTGER4 |
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-110494539-A | Bicyclic [2.2.1] hept-2-ene\" base-acetic acid esters of 5- is as aromatic and/or flavoring agent | SYMRISE AG | 2019-11-22 | — | — | CN | disclosed |