Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HAVCR2 | Q8TDQ0 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19119122 | 0.94 | PDE4B (0.51) | PDE4BHAVCR2ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL17784221 | 0.90 | PDE4B (0.57) | PDE4BSMN1; SMN2KDM4EMAPK1HSD17B10 | |
| SCHEMBL17784227 | 0.90 | PDE4B (0.54) | PDE4BRAB9A | |
| SCHEMBL19119137 | 0.89 | PDE4B (0.49) | PDE4BALDH1A1TP53 | |
| SCHEMBL19119081 | 0.88 | PDE4B (0.54) | PDE4BRAB9AKMT2ANPSR1MEN1 | |
| SCHEMBL19118056 | 0.88 | PDE4B (0.60) | PDE4BMAPTTSHR | |
| SCHEMBL19119085 | 0.88 | PDE4B (0.57) | PDE4BRAB9AALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL17784213 | 0.86 | PDE4B (0.57) | PDE4BKDM4EMAPTMAPK1HSD17B10 | |
| SCHEMBL19118430 | 0.85 | PDE4B (0.47) | PDE4BRAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL17784212 | 0.84 | PDE4B (0.48) | PDE4BRAB9AALDH1A1SMN1; SMN2HPGD |
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 |