Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.76 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.74 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.74 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8578121 | 0.93 | ADORA1 (0.72) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL8118476 | 0.86 | ADORA1 (1.00) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL5229734 | 0.85 | ADORA2B (1.00) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL9645551 | 0.84 | ADORA1 (0.95) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL27338909 | 0.82 | ADORA1 (0.67) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL5227560 | 0.81 | ADORA1 (0.90) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL8579120 | 0.80 | ADORA1 (0.64) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL8352479 | 0.80 | ADORA1 (0.84) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL8576452 | 0.80 | ADORA1 (0.84) | ADORA1ADORA2BADORA2AADORA3LMNA | |
| SCHEMBL8579881 | 0.79 | ADORA1 (0.62) | ADORA1ADORA2BADORA2AADORA3LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1043348-C | Asymmetrically substituted xanthines | BOEHRINGER INGELHEIM KG (DE) | 1999-05-12 | — | — | CN | disclosed |
| US-5719279-A | CHOLINOMIMETICS | BOEHRINGER INGELHEIM KG (DE) | 1998-02-17 | — | — | US | disclosed |
| EP-0654033-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |