Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4444391 | 0.87 | TP53 (0.40) | DRD2DRD3TP53HTTCHEK1 | |
| SCHEMBL5048771 | 0.83 | KCNH2 (0.46) | DRD2DRD3KCNH2PARP1PRKAA2 | |
| SCHEMBL3846224 | 0.81 | PARP1 (0.46) | DRD2DRD3CHEK1KCNH2KDM4E | |
| SCHEMBL4755013 | 0.76 | PARP1 (0.44) | DRD2DRD3TP53HTTCHEK1 | |
| SCHEMBL4441167 | 0.76 | PARP1 (0.44) | DRD2DRD3TP53HTTCHEK1 | |
| SCHEMBL3587044 | 0.76 | KCNH2 (0.60) | DRD2DRD3KCNH2ADRA1DADRA1A | |
| SCHEMBL921237 | 0.74 | KCNH2 (0.63) | DRD2DRD3KCNH2KDM4EHSD17B10 | |
| SCHEMBL22374591 | 0.72 | HTR1A (0.59) | — | |
| SCHEMBL3716513 | 0.72 | IDH1 (0.50) | DRD2DRD3KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL4438705 | 0.69 | PARP1 (0.41) | DRD2DRD3TP53HTTCHEK1 |
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-1893599-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | AstraZeneca AB (SE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134378-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2006-12-21 | — | — | WO | disclosed |