Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.44 |
| ▸ | PPOX | P50336 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | WEE1 | P30291 | 3/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | CASP2 | P42575 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2495411 | 0.75 | PARP1 (0.39) | PARP1PPOXGSK3BWEE1CHEK1 | |
| SCHEMBL2932679 | 0.74 | GSK3B (0.52) | PARP1GSK3BWEE1CHEK1KDM4E | |
| SCHEMBL7872774 | 0.74 | PPOX (0.38) | PARP1PPOXGSK3BWEE1CHEK1 | |
| SCHEMBL3681061 | 0.71 | PARP1 (0.50) | PARP1PPOXGSK3BWEE1CHEK1 | |
| Ethylene SCHEMBL7198620 | 0.68 | PARP1 (0.47) | PARP1PPOXGSK3BWEE1CHEK1 | |
| SCHEMBL16754925 | 0.67 | GSK3B (0.62) | PARP1PPOXGSK3BKDM4EALDH1A1 | |
| SCHEMBL114048 | 0.67 | PARP1 (0.46) | PARP1PPOXGSK3BWEE1CHEK1 | |
| SCHEMBL30969378 | 0.67 | PARP1 (0.46) | PARP1PPOXGSK3BWEE1CHEK1 | |
| SCHEMBL767501 | 0.67 | PARP1 (0.50) | PARP1PPOXGSK3BWEE1CHEK1 | |
| SCHEMBL9279015 | 0.67 | GRM5 (0.46) | PARP1PPOXGSK3BWEE1CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6191307-B1 | Process for making benzoic acids | ALBEMARLE CORPORATION | 2001-02-20 | — | — | US | disclosed |