Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 11/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28415031 | 0.89 | LMNA (0.60) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL17682218 | 0.87 | LMNA (0.54) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL17682144 | 0.83 | LMNA (0.53) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL17682215 | 0.83 | TNF (0.77) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL17682325 | 0.81 | TNF (0.80) | TNFLMNACYP1A2NFKB1ACHE | |
| Xanthinol SCHEMBL121656 | 0.80 | LMNA (0.73) | LMNASMN1; SMN2POLBRXFP1ADORA2B | |
| SCHEMBL18819566 | 0.78 | LMNA (0.63) | LMNASMN1; SMN2POLBRXFP1ADORA2B | |
| SCHEMBL19601307 | 0.77 | LMNA (0.48) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL17682312 | 0.77 | TNF (1.00) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL5424162 | 0.74 | TNF (1.00) | TNFLMNACYP1A2NFKB1ACHE |
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-111233863-B | Hydroxyl purine compound and application thereof | 广东众生睿创生物科技有限公司 | 2022-10-25 | — | — | CN | disclosed |