Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPOX | P50336 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.36 |
| ▸ | CDK4 | P11802 | 2/20 | 0.36 |
| ▸ | CCND1 | P24385 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | WEE1 | P30291 | 5/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | TDP2 | O95551 | 3/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CASP2 | P42575 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | TGM2 | P21980 | 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 | |
|---|---|---|---|---|
| SCHEMBL7943830 | 0.74 | PARP1 (0.44) | PPOXGSK3BWEE1CHEK1PARP1 | |
| SCHEMBL17316982 | 0.71 | ALDH1A1 (0.42) | PPOXGSK3BCDK4CCND1CCNA2 | |
| SCHEMBL11429389 | 0.70 | CHEK1 (0.32) | GSK3BWEE1CHEK1TDP2 | |
| SCHEMBL3874605 | 0.68 | GRM5 (0.43) | PPOXGSK3BTDP2CASP3CASP2 | |
| SCHEMBL24414145 | 0.67 | PPOX (0.39) | PPOXGSK3BPARP1TDP2CASP3 | |
| SCHEMBL30991840 | 0.67 | PPOX (0.39) | PPOXGSK3BPARP1TDP2CASP3 | |
| SCHEMBL3875801 | 0.67 | PPOX (0.48) | PPOXGSK3BTDP2CASP3MAOA | |
| SCHEMBL20685607 | 0.65 | PPOX (0.38) | PPOXGSK3BCDK4CCND1CCNA2 | |
| SCHEMBL19733214 | 0.65 | ALOX15 (0.37) | — | |
| SCHEMBL18663467 | 0.65 | — | — |
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-6187285-B1 | IN PARTICULAR MAGNETIC RESONANCE IMAGING (MRI) FOR MAGNETIC CATIONS. | GUERBET (FR) | 2001-02-13 | — | — | US | disclosed |