Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.42 |
| ▸ | PLD2 | O14939 | 2/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7659345 | 0.90 | HRH1 (0.44) | CCR2HRH1HRH3TDP1SIGMAR1 | |
| SCHEMBL7660411 | 0.88 | HRH1 (0.53) | CCR2HRH1HRH3TDP1SIGMAR1 | |
| SCHEMBL7657286 | 0.76 | HRH1 (0.51) | HRH1HRH3SIGMAR1CNR1ADRA1A | |
| SCHEMBL7656122 | 0.75 | HRH1 (0.43) | HRH1HRH3SIGMAR1CNR1ADRA1A | |
| SCHEMBL7653823 | 0.75 | HRH1 (0.56) | HRH1HRH3SIGMAR1ADRA1A | |
| SCHEMBL4999332 | 0.75 | CCR2 (0.49) | CCR2HRH3TDP1SIGMAR1PLD2 | |
| SCHEMBL4999331 | 0.75 | CCR2 (0.49) | CCR2HRH3TDP1SIGMAR1PLD2 | |
| Hydrochloric Acid SCHEMBL7664647 | 0.74 | HRH1 (0.55) | HRH1HRH3SIGMAR1ADRA1A | |
| SCHEMBL13864851 | 0.73 | CCR2 (0.50) | CCR2TDP1SIGMAR1PLD2PLD1 | |
| SCHEMBL7652519 | 0.73 | ADRA1A (0.40) | HRH1HRH3SIGMAR1CNR1ADRA1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436962-B1 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF | MERCK & CO., INC. | 2002-08-20 | — | — | US | disclosed |