Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.47 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 4/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TERT | O14746 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | PPARD | Q03181 | 3/20 | 0.46 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9086095 | 0.98 | PPARG (0.50) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL11391305 | 0.90 | FFAR1 (0.51) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL8161025 | 0.84 | ALDH1A1 (0.49) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL11731186 | 0.84 | ALDH1A1 (0.49) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL8161028 | 0.84 | ALDH1A1 (0.49) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL5134223 | 0.82 | PPARG (0.47) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL5134225 | 0.82 | PPARG (0.47) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL5134222 | 0.82 | PPARG (0.47) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL1361448 | 0.81 | ALDH1A1 (0.38) | ABCG2CACNA2D1CACNB2CACNA1CPPARG | |
| SCHEMBL1361451 | 0.81 | ALDH1A1 (0.38) | ABCG2CACNA2D1CACNB2CACNA1CPPARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-1112245-A1 | METHOD FOR PRODUCING GAMMA,DELTA-UNSATURATED KETONES BY CARROLL-REACTION | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000014046-A1 | METHOD FOR PRODUCING η,δ-UNSATURATED KETONES BY CARROLL-REACTION | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-16 | — | — | WO | disclosed |