Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10178117 | 0.87 | RXFP1 (0.63) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 | |
| SCHEMBL21648258 | 0.81 | ADORA2B (0.54) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 | |
| SCHEMBL5462777 | 0.73 | RXFP1 (0.78) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 | |
| SCHEMBL10178197 | 0.72 | RXFP1 (0.60) | ADORA2BSMN1; SMN2RXFP1MAPK1TP53 | |
| Acefylline SCHEMBL308514 | 0.72 | ADORA2B (1.00) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 | |
| SCHEMBL11531219 | 0.72 | ADORA2B (0.78) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 | |
| Acefylline SCHEMBL18191994 | 0.72 | ADORA2B (1.00) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 | |
| SCHEMBL19370573 | 0.72 | ADORA2B (0.71) | ADORA2BSMN1; SMN2RXFP1MAPK1LMNA | |
| SCHEMBL15375895 | 0.71 | KMT2A (0.74) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 | |
| SCHEMBL10178027 | 0.71 | SMN1; SMN2 (1.00) | ADORA2BSMN1; SMN2KMT2AMEN1RXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663295-A1 | 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL | ELI LILLY AND CO. (US) | 2020-06-10 | — | — | EP | disclosed |