Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.45 |
| ▸ | PDE1A | P54750 | 1/20 | 0.45 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.45 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7759061 | 0.89 | ADORA1 (0.53) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL7971689 | 0.82 | SIRT1 (0.46) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL8579478 | 0.81 | ADORA1 (0.74) | ADORA1ADORA2BADORA2AMEN1GMNN | |
| SCHEMBL7974739 | 0.80 | SIRT1 (0.44) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL3239752 | 0.78 | TLR7 (0.50) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL7760152 | 0.78 | SIRT1 (0.59) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL7759770 | 0.78 | SIRT1 (0.59) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL7759764 | 0.78 | SIRT1 (0.59) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL8836691 | 0.77 | ADORA1 (0.79) | ADORA1ADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL7760165 | 0.76 | ADORA1 (0.68) | ADORA1ADORA2BADORA2AMEN1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | claimed |
| 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 |