Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 4/20 | 0.47 |
| ▸ | PDE2A | O00408 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29782769 | 1.00 | ADA (0.47) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL29782792 | 0.99 | CYP1A2 (0.46) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL19662016 | 0.94 | CYP1A2 (0.50) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL20711362 | 0.92 | CYP1A2 (0.48) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL6903378 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL29782798 | 0.83 | ADA (0.49) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL29782849 | 0.83 | ADA (0.67) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL29782906 | 0.83 | ADA (0.49) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL29782924 | 0.83 | ADA (0.67) | ADAPDE2ACYP3A4CYP1A2PDE4A | |
| SCHEMBL29782620 | 0.83 | ADA (0.49) | ADAPDE2ACYP3A4CYP1A2PDE4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574217-B | Acyclic nucleoside lead compound, preparation method thereof and application thereof in pharmacy | 河南师范大学 | 2022-05-20 | — | — | CN | disclosed |