Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.75 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.59 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31060755 | 0.92 | ADORA1 (0.89) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7759769 | 0.90 | ADORA1 (0.71) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7759755 | 0.89 | ADORA1 (0.80) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7969305 | 0.87 | ADORA1 (0.67) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7958489 | 0.87 | ADORA1 (0.80) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7269366 | 0.86 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7755165 | 0.86 | ADORA1 (0.71) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7969214 | 0.86 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7959055 | 0.85 | ADORA1 (0.70) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7755147 | 0.85 | ADORA1 (0.72) | ADORA1ADORA2AADORA2BADORA3SLC6A3 |
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-1084123-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2001-03-21 | — | — | EP | disclosed |
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |
| WO-1999054331-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-28 | — | — | WO | disclosed |