Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 7/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2127475 | 0.87 | PDK2 (0.41) | ALDH1A1 | |
| SCHEMBL108873 | 0.84 | PTGDR (0.37) | HPGDENPP2DRD2DRD4DRD3 | |
| SCHEMBL2143368 | 0.77 | PDK2 (0.41) | ENPP2ALDH1A1 | |
| SCHEMBL2128838 | 0.72 | MAPT (0.43) | ALDH1A1 | |
| SCHEMBL2143583 | 0.71 | PDK2 (0.40) | ENPP2PTGDRALDH1A1 | |
| SCHEMBL2143614 | 0.69 | NTRK1 (0.46) | DRD2DRD4DRD3NTRK1CSF1R | |
| SCHEMBL15623996 | 0.68 | NTRK1 (0.47) | DRD2DRD4DRD3NTRK1CSF1R | |
| SCHEMBL20445944 | 0.66 | AKR1C3 (0.42) | HPGDALDH1A1GAAAKR1C3 | |
| SCHEMBL2142144 | 0.65 | MAPT (0.42) | PTGDRALDH1A1 | |
| SCHEMBL15623987 | 0.65 | ADRB1 (0.41) | NTRK1CSF1RNTRK2 |
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-2424843-A1 | IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES | Novartis AG (CH) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010125402-A1 | IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES | NOVARTIS AG (CH) | 2010-11-04 | — | — | WO | disclosed |