Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 13/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6966331 | 0.83 | CYP2D6 (0.45) | GRM5CHRNB2ADRA2CCHRNB4CHRNA3 | |
| SCHEMBL3592758 | 0.81 | GRM5 (0.56) | GRM5 | |
| SCHEMBL15181559 | 0.80 | GRM5 (0.41) | GRM5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7841244 | 0.79 | TACR1 (0.37) | GRM5CHRNB2ADRA2CCHRNB4CHRNA3 | |
| SCHEMBL5387737 | 0.78 | CYP2D6 (0.52) | GRM5CYP2D6 | |
| SCHEMBL9203992 | 0.78 | CYP2D6 (0.52) | GRM5CYP2D6 | |
| SCHEMBL7658515 | 0.77 | GRM5 (0.45) | GRM5CHRNB2ADRA2CCHRNB4CHRNA3 | |
| SCHEMBL14587413 | 0.77 | GRM5 (0.45) | GRM5CHRNB2ADRA2CCHRNB4CHRNA3 | |
| SCHEMBL7655571 | 0.77 | GRM5 (0.45) | GRM5CHRNB2ADRA2CCHRNB4CHRNA3 | |
| SCHEMBL14587411 | 0.77 | GRM5 (0.45) | GRM5CHRNB2ADRA2CCHRNB4CHRNA3 |
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-0998285-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2003-01-08 | — | — | EP | disclosed |
| EP-0998285-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-05-10 | — | — | EP | disclosed |
| WO-1998057641-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-12-23 | — | — | WO | disclosed |