Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 15/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 15/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 15/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6966134 | 0.89 | ADRA1D (0.45) | ADRA1DADRA1AADRA1BCCR2 | |
| SCHEMBL7954985 | 0.81 | ADRA1D (0.39) | ADRA1DADRA1AADRA1BKDM1AADAM17 | |
| SCHEMBL7954991 | 0.81 | ADRA1D (0.39) | ADRA1DADRA1AADRA1BKDM1AADAM17 | |
| SCHEMBL7967934 | 0.79 | ADRA1A (0.44) | ADRA1DADRA1AADRA1BCCR2 | |
| SCHEMBL13651261 | 0.78 | ADRA1A (0.46) | ADRA1DADRA1AADRA1BKDM1A | |
| SCHEMBL8008002 | 0.78 | ADRA1D (0.73) | ADRA1DADRA1AADRA1B | |
| SCHEMBL8008075 | 0.78 | ADRA1D (0.66) | ADRA1DADRA1AADRA1B | |
| SCHEMBL7955554 | 0.77 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BCCR2 | |
| SCHEMBL6965559 | 0.77 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BCCR2 | |
| Hydrochloric Acid SCHEMBL6956543 | 0.77 | ADRA1D (0.51) | ADRA1DADRA1AADRA1BCCR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1019052-A4 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-05-16 | — | — | EP | disclosed |
| US-6143750-A | NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS | MERCK & CO., INC. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-1019052-A1 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998057640-A1 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-12-23 | — | — | WO | disclosed |