Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.60 |
| ▸ | TNF | P01375 | 4/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Caffeine SCHEMBL5454805 | 0.84 | ADORA2B (0.56) | ADORA2BACHELMNAPDE4APDE4B | |
| SCHEMBL27979276 | 0.79 | ADORA2B (0.71) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL17486889 | 0.78 | ADORA2B (0.67) | ADORA2BTNFACHEUSP2LMNA | |
| Caffeine SCHEMBL30161711 | 0.78 | ADORA2B (0.56) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL14958864 | 0.76 | ADORA2B (0.66) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL356160 | 0.76 | ADORA2B (1.00) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL17682143 | 0.75 | ADORA2B (0.61) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL6779460 | 0.75 | SMN1; SMN2 (0.62) | ADORA2BTNFACHEUSP2LMNA | |
| Bisdionin B SCHEMBL29896692 | 0.75 | ADORA2B (0.74) | ADORA2BTNFACHEUSP2LMNA | |
| SCHEMBL8570022 | 0.75 | ADORA2B (0.77) | ADORA2BTNFACHEUSP2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20240307427-A1 | REMDESIVIR COCRYSTAL, COMPOSITIONS AND METHODS THEREOF | VERSITECH LIMITED (CN) | 2024-09-19 | — | — | US | disclosed |
| CN-118638154-A | Ruidexiwei eutectic, composition and method thereof | 港大科桥有限公司 | 2024-09-13 | — | — | CN | disclosed |