Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25111152 | 0.83 | CA2 (0.44) | CA2PDK1PDK2PDK3PDK4 | |
| SCHEMBL11792315 | 0.78 | TSHR (0.44) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL30530487 | 0.78 | KCNN4 (0.45) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL8895713 | 0.78 | KCNN4 (0.45) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL9442662 | 0.77 | ALDH1A1 (0.45) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL30018318 | 0.77 | ALDH1A1 (0.45) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL9265913 | 0.77 | PGR (0.39) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL29636630 | 0.75 | PGR (0.45) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL30148352 | 0.75 | PDK1 (0.39) | PGRCA2PDK1PDK2PDK3 | |
| SCHEMBL23162712 | 0.75 | PGR (0.45) | PGRCA2PDK1PDK2PDK3 |
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-1984369-A2 | NITROIMIDAZOLE COMPOUNDS | Novartis AG (CH) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007075872-A2 | NITROIMIDAZOLE COMPOUNDS | NOVARTIS AG (CH) | 2007-07-05 | — | — | WO | disclosed |