Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL13565127 | 1.00 | PDE4A (0.37) | PDE4ASMN1; SMN2PI4KBPTGER4CYP19A1 | |
| SCHEMBL17090197 | 0.85 | PTGER4 (0.36) | PDE4ASMN1; SMN2PI4KBPTGER4NPY5R | |
| SCHEMBL13565174 | 0.85 | PTGER4 (0.36) | PDE4ASMN1; SMN2PI4KBPTGER4NPY5R | |
| SCHEMBL13564896 | 0.82 | PTGS1 (0.36) | PI4KBPTGER4ALDH1A1ALDH3A1PTGS1 | |
| SCHEMBL17090437 | 0.82 | PTGS1 (0.36) | PI4KBPTGER4ALDH1A1ALDH3A1PTGS1 | |
| SCHEMBL10114990 | 0.80 | POLB (0.45) | SMN1; SMN2ALDH1A1KMT2ABRD4 | |
| SCHEMBL13204435 | 0.80 | POLB (0.45) | SMN1; SMN2ALDH1A1KMT2ABRD4 | |
| SCHEMBL13564914 | 0.80 | PDE4A (0.41) | PDE4API4KBALDH1A1MEN1TSHR | |
| SCHEMBL13439249 | 0.79 | PTGER4 (0.41) | PDE4ASMN1; SMN2PTGER4CYP19A1ALDH1A1 | |
| SCHEMBL11935507 | 0.79 | PTGER4 (0.41) | PDE4ASMN1; SMN2PTGER4CYP19A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |