Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | GSK3B | P49841 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16863190 | 0.90 | PARP1 (0.47) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL11615870 | 0.84 | KDM4E (0.42) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL2312958 | 0.84 | PARP1 (0.42) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL4975651 | 0.84 | PARP1 (0.42) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL7348724 | 0.83 | PARP1 (0.41) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL709378 | 0.81 | GSK3B (0.43) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL6347009 | 0.81 | PARP1 (0.40) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL10879460 | 0.80 | PARP1 (0.39) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL28160075 | 0.80 | MAOA (0.46) | PARP1GSK3BKDM4EALDH1A1GAA | |
| SCHEMBL170914 | 0.80 | GABRA1 (0.49) | PARP1GSK3BKDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4895846-A | CARDIOVASCULAR DISORDERS | BRISTOL-MYERS COMPANY (US) | 1990-01-23 | — | — | US | disclosed |
| US-4755512-A | Pharmaceutically useful dihydropyridinyldicarboxylate amides and esters incorporating arylpiperazinylalkyl moities | BRISTOL-MYERS COMPANY (US) | 1988-07-05 | — | — | US | disclosed |