Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 4/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4441167 | 0.85 | PARP1 (0.44) | PARP1IDH1CHEK1DRD2DRD4 | |
| SCHEMBL3846224 | 0.85 | PARP1 (0.46) | PARP1IDH1CHEK1DRD2DRD4 | |
| SCHEMBL4444391 | 0.81 | TP53 (0.40) | PARP1IDH1CHEK1DRD2DRD4 | |
| SCHEMBL4438705 | 0.77 | PARP1 (0.41) | PARP1IDH1CHEK1DRD2DRD4 | |
| SCHEMBL5047724 | 0.76 | DRD2 (0.46) | PARP1IDH1CHEK1DRD2DRD4 | |
| SCHEMBL3846941 | 0.69 | KCNH2 (0.47) | PARP1IDH1ALDH1A1LMNAHPGD | |
| SCHEMBL5047695 | 0.69 | PARP1 (0.38) | PARP1DRD2HTR1A | |
| SCHEMBL3716513 | 0.67 | IDH1 (0.50) | PARP1IDH1DRD2DRD4DRD3 | |
| SCHEMBL23482001 | 0.66 | HRH3 (0.60) | CHEK1DRD2DRD4DRD3HRH3 | |
| SCHEMBL5047854 | 0.65 | MAPK10 (0.42) | PARP1CHEK1HTR1AHTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001126-A1 | SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |