Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7675434 | 0.86 | SIGMAR1 (0.50) | SIGMAR1CYP2D6 | |
| SCHEMBL7672672 | 0.86 | SIGMAR1 (0.40) | SIGMAR1CYP2D6HTR1A | |
| SCHEMBL7681697 | 0.77 | DRD2 (0.52) | SIGMAR1 | |
| SCHEMBL7675117 | 0.75 | DRD2 (0.42) | SIGMAR1CYP2D6HTR1APDK2 | |
| SCHEMBL7675101 | 0.75 | SIGMAR1 (0.40) | SIGMAR1CYP2D6PDK2 | |
| SCHEMBL7678255 | 0.73 | SIGMAR1 (0.46) | SIGMAR1CYP2D6 | |
| SCHEMBL7675298 | 0.73 | SIGMAR1 (0.46) | SIGMAR1CYP2D6 | |
| SCHEMBL30584724 | 0.73 | CCR1 (0.47) | SIGMAR1CYP2D6 | |
| SCHEMBL7678975 | 0.71 | SIGMAR1 (0.44) | SIGMAR1CYP2D6 | |
| SCHEMBL7675286 | 0.71 | SIGMAR1 (0.44) | SIGMAR1CYP2D6 |
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-6387893-B1 | ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |