Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.57 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAT2A | P31153 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17784213 | 0.91 | PDE4B (0.57) | PDE4BGBA1KDM4EHSD17B10PSMB5 | |
| SCHEMBL17784221 | 0.90 | PDE4B (0.57) | PDE4BGBA1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL19119122 | 0.88 | PDE4B (0.51) | PDE4BSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL19118428 | 0.88 | PDE4B (0.55) | PDE4BSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL17784227 | 0.86 | PDE4B (0.54) | PDE4BRAB9AAKT1AKT2PTPN11 | |
| SCHEMBL19119137 | 0.85 | PDE4B (0.49) | PDE4BALDH1A1AKT1AKT2TP53 | |
| SCHEMBL17784212 | 0.84 | PDE4B (0.48) | PDE4BSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL16446627 | 0.84 | PDE4B (0.50) | PDE4BSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL19118056 | 0.83 | PDE4B (0.60) | PDE4B | |
| SCHEMBL19118430 | 0.83 | PDE4B (0.47) | PDE4BKDM4EALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3030565-B1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |