Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.38 |
| ▸ | RELA | Q04206 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | DNTT | P04053 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HLCS | P50747 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 7/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1614688 | 1.00 | CYP1A2 (0.39) | CYP1A2NFKB1NFKB2RELAPPARG | |
| SCHEMBL1614523 | 0.98 | NFKB1 (0.39) | CYP1A2NFKB1NFKB2RELAPPARG | |
| SCHEMBL27609553 | 0.92 | NFKB1 (0.44) | CYP1A2NFKB1NFKB2RELAPPARG | |
| SCHEMBL14127829 | 0.87 | NFKB1 (0.37) | CYP1A2NFKB1NFKB2RELAPPARG | |
| SCHEMBL6439905 | 0.84 | — | — | |
| SCHEMBL6440802 | 0.76 | — | — | |
| SCHEMBL2777191 | 0.74 | NFKB1 (0.41) | CYP1A2NFKB1NFKB2RELAALDH1A1 | |
| SCHEMBL11766874 | 0.71 | NFKB1 (0.41) | CYP1A2NFKB1NFKB2RELAPPARG | |
| SCHEMBL28588546 | 0.70 | CYP1A2 (0.46) | CYP1A2PPARGDNTTALDH1A1GRM2 | |
| SCHEMBL7516212 | 0.68 | CYP1A2 (0.40) | CYP1A2NFKB1NFKB2RELAPPARG |
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-1156432-C | Cyclopentenone derivatives | ������������ʽ���� | 2004-07-07 | — | — | CN | disclosed |
| CN-1247528-A | Cyclopentenone derivatives | TAKARA SHUZO CO (JP) | 2000-03-15 | — | — | CN | disclosed |