Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17682328 | 0.80 | TRPA1 (0.57) | TRPA1ADORA3PDE4APDE4BPDE4C | |
| SCHEMBL19246062 | 0.77 | TRPA1 (0.39) | TRPA1ADORA3PDE5APDE4APDE4B | |
| SCHEMBL18819578 | 0.72 | PDE5A (0.43) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19245876 | 0.72 | PDE5A (0.43) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19245873 | 0.72 | PDE5A (0.46) | TRPA1PDE5APDE4APDE4BPDE4C | |
| SCHEMBL19246013 | 0.71 | PDE5A (0.48) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18819663 | 0.68 | HTT (0.39) | KDM4EHTTLMNAMAPK1POLB | |
| SCHEMBL6880028 | 0.67 | TNF (0.56) | PDE4APDE4BPDE4CPDE4DKDM4E | |
| SCHEMBL19246063 | 0.67 | MEN1 (0.48) | KDM4EKMT2ALMNAMAPK1POLB | |
| SCHEMBL19245872 | 0.67 | SMN1; SMN2 (0.42) | PDE5APDE4APDE4BPDE4CPDE4D |
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-3205652-A1 | HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF | Medshine Discovery Inc. (CN) | 2017-08-16 | — | — | EP | disclosed |
| WO-2017071606-A1 | MEDICAL USE OF HYDROXYL PURINE COMPOUND | 南京明德新药研发股份有限公司 | 2017-05-04 | — | — | WO | disclosed |