Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.40 |
| ▸ | TNF | P01375 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL17682115 | 0.85 | ADORA2B (0.45) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL19607604 | 0.80 | PDE4A (0.46) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL17682156 | 0.79 | ADORA2B (0.62) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL18819570 | 0.77 | PDE4A (0.55) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL19246075 | 0.74 | LMNA (0.52) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL18819572 | 0.70 | ADORA2B (0.50) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL19607606 | 0.69 | PDE4A (0.53) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL4277207 | 0.68 | ADORA2B (0.67) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL7029350 | 0.68 | LMNA (0.51) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL19601304 | 0.67 | PDE4A (0.58) | ADORA2BTNFLMNACYP1A2NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |