Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.50 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3210355 | 0.89 | SLC6A2 (0.58) | ALDH1A1SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL6582011 | 0.89 | ALDH1A1 (0.73) | ALDH1A1SLC6A2SLC6A4HTR1AADRA1B | |
| SCHEMBL6577757 | 0.85 | ALDH1A1 (0.73) | ALDH1A1SLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL6583113 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HTR1AADRA1B | |
| SCHEMBL9347278 | 0.79 | KDM4E (0.62) | ALDH1A1SLC6A2SLC6A3HTR1ADRD2 | |
| SCHEMBL7410473 | 0.79 | ALDH1A1 (0.68) | ALDH1A1HTR1ADRD2DRD4ADRA1B | |
| SCHEMBL3210347 | 0.79 | DRD3 (0.54) | SLC6A2SLC6A4HTR1ADRD2DRD4 | |
| SCHEMBL23775596 | 0.79 | SIGMAR1 (0.65) | ALDH1A1POLB | |
| SCHEMBL4400393 | 0.77 | KDM4E (0.61) | ALDH1A1HTR1ADRD2DRD4DRD3 | |
| SCHEMBL14922275 | 0.77 | POLB (0.71) | ALDH1A1SLC6A2SLC6A4DRD2DRD4 |
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-2008090379-A1 | PYRAZOLOQUINAZOLINONES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2008-07-31 | — | — | WO | disclosed |