Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2561878 | 0.87 | PDE4D (0.41) | PDE4APDE4BPDE4CPDE4DPTGS2 | |
| SCHEMBL12264894 | 0.81 | PDE4D (0.43) | PDE4APDE4BPDE4CPDE4DPTGS2 | |
| SCHEMBL2556366 | 0.80 | MAPT (0.43) | PDE4APDE4BPDE4CPDE4DTP53 | |
| SCHEMBL2576433 | 0.74 | TSHR (0.47) | PDE4DTP53NPC1LMNARAB9A | |
| SCHEMBL2561700 | 0.73 | CACNA2D1 (0.44) | PDE4DTP53POLBALDH1A1NPSR1 | |
| SCHEMBL14482912 | 0.72 | MEN1 (0.47) | PDE4APDE4BPDE4CPDE4DPTGS2 | |
| SCHEMBL12264383 | 0.72 | PDE4D (0.47) | PDE4APDE4BPDE4CPDE4DPTGS2 | |
| SCHEMBL2559541 | 0.71 | ALDH1A1 (0.53) | PDE4BPDE4DLMNAPOLBALDH1A1 | |
| SCHEMBL2559798 | 0.71 | SLC34A1 (0.49) | PTGS2LMNAALDH1A1SLC34A1 | |
| SCHEMBL2564655 | 0.68 | PPARA (0.46) | PTGS2LMNAPOLBALDH1A1SLC34A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552895-B1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | Westfälische Wilhelms Universität Münster (DE) | 2015-02-25 | — | — | EP | disclosed |
| EP-2552895-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | Westfälische Wilhelms-Universität Münster (DE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120861-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2011-10-06 | — | — | WO | disclosed |