Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC8 | Q09428 | 1/20 | 0.64 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.52 |
| ▸ | MC3R | P41968 | 1/20 | 0.52 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.52 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.52 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19601319 | 0.91 | MAPK1 (0.58) | ABCC8KCNJ11MAPK1NPSR1ADORA2B | |
| SCHEMBL17682264 | 0.87 | MAPK1 (0.54) | ABCC8KCNJ11MAPK1NPSR1ADORA2B | |
| SCHEMBL17682265 | 0.87 | MAPK1 (0.56) | ABCC8KCNJ11MAPK1NPSR1ADORA2B | |
| SCHEMBL10394509 | 0.85 | MAPK1 (0.73) | MAPK1NPSR1ADORA2BGLABLM | |
| Iodide SCHEMBL28480464 | 0.84 | MAPK1 (0.72) | MAPK1NPSR1ADORA2BGLABLM | |
| SCHEMBL29148051 | 0.84 | ADORA2B (0.62) | MAPK1NPSR1ADORA2BGLABLM | |
| SCHEMBL18989514 | 0.82 | MAPK1 (0.66) | MAPK1NPSR1ADORA2BGLABLM | |
| SCHEMBL19601321 | 0.81 | MAPK1 (0.55) | MAPK1NPSR1ADORA2BGLABLM | |
| SCHEMBL27699778 | 0.81 | MAPK1 (0.67) | MAPK1NPSR1ADORA2BGLABLM | |
| SCHEMBL19601323 | 0.80 | MAPK1 (0.69) | MAPK1NPSR1ADORA2BGLABLM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0019165-B1 | PROCESS FOR PREPARING 1,3,7-TRIALKYLXANTHINES | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1985-07-31 | — | — | EP | disclosed |
| US-4450163-A | ANTIBODY INHIBITORS; N-ALKYLATION OF XANTHINES USING PHASE TRANSFER AGENTS | SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) | 1984-05-22 | — | — | US | disclosed |
| EP-0019165-A1 | Process for preparing 1,3,7-trialkylxanthines | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1980-11-26 | — | — | EP | disclosed |