Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL9845917 | 1.00 | MMP1 (0.35) | MMP1MMP2PPARDAKR1C3AKR1C1 | |
| SCHEMBL9845909 | 0.72 | TSHR (0.38) | PPARD | |
| SCHEMBL7572218 | 0.67 | DPP4 (0.35) | — | |
| SCHEMBL9692780 | 0.64 | SLC6A2 (0.31) | — | |
| SCHEMBL20400492 | 0.63 | SLC6A2 (0.32) | — | |
| SCHEMBL13181696 | 0.63 | CYP2D6 (0.40) | — | |
| SCHEMBL21925055 | 0.60 | TSHR (0.50) | MMP1MMP2PPARD | |
| SCHEMBL15058647 | 0.59 | NOS1 (0.31) | — | |
| SCHEMBL15058646 | 0.59 | NOS1 (0.31) | — | |
| SCHEMBL4978281 | 0.59 | HCAR2 (0.43) | PPARD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0453841-A2 | Process for the preparation of esters of 1-alcoxyhexatriene-2-carboxylic acid | BAYER AG (DE) | 1991-10-30 | — | — | EP | disclosed |