Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | LHCGR | P22888 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GAPDH | P04406 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6989070 | 0.86 | LMNA (0.43) | LMNAMAOAMAOBMAPTMEN1 | |
| SCHEMBL6988241 | 0.84 | PGR (0.41) | — | |
| SCHEMBL7090856 | 0.82 | MAOA (0.38) | LMNAMAOAMAOBMAPTALDH1A1 | |
| SCHEMBL6987344 | 0.80 | MAPT (0.34) | LMNAMAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL6703029 | 0.79 | MAOA (0.39) | CYP3A4HSD17B1HSD17B2CYP2C9MLLT1 | |
| SCHEMBL6160716 | 0.72 | CYP3A4 (0.61) | CYP3A4ALDH1A1 | |
| SCHEMBL13701677 | 0.67 | KDM4E (0.50) | CYP3A4HSD17B1HSD17B2CYP2C9LMNA | |
| SCHEMBL28730065 | 0.66 | AR (0.39) | CYP3A4HSD17B1HSD17B2CYP2C9DHODH | |
| SCHEMBL29214457 | 0.66 | HSD17B1 (0.47) | CYP3A4HSD17B1HSD17B2CYP2C9MEN1 | |
| SCHEMBL27761924 | 0.65 | TSHR (0.38) | CYP3A4HSD17B1CA12CA9 |
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-1324984-A1 | BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS | Morphochem AG (DE) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002030892-A1 | BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS | MORPHOCHEM AG (DE) | 2002-04-18 | — | — | WO | disclosed |