Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7848960 | 0.90 | CHRM4 (0.36) | SLC6A4SLC6A2PARP1 | |
| SCHEMBL7821526 | 0.90 | NOS2 (0.34) | SLC6A4SLC6A2PARP1BRD4 | |
| SCHEMBL7821922 | 0.87 | SLC6A2 (0.39) | SLC6A4SLC6A2CTSSCTSK | |
| SCHEMBL7834084 | 0.79 | SLC6A2 (0.39) | SLC6A4SLC6A2CHRM2CHRM1CHRM3 | |
| SCHEMBL7834047 | 0.77 | DRD2 (0.47) | SLC6A4SLC6A2 | |
| SCHEMBL7833629 | 0.76 | NOS2 (0.39) | SLC6A4SLC6A2CHRM2CHRM1CHRM3 | |
| SCHEMBL7835874 | 0.72 | CKS1B (0.37) | — | |
| SCHEMBL7714679 | 0.71 | CHRM4 (0.49) | PRKAA2 | |
| SCHEMBL21601247 | 0.71 | AAK1 (0.48) | CTSSCTSKTRPA1 | |
| SCHEMBL4622655 | 0.70 | EPHX1 (0.44) | — |
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-1023068-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-05-16 | — | — | EP | disclosed |
| EP-1023068-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-08-02 | — | — | EP | disclosed |
| WO-1998057638-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-12-23 | — | — | WO | disclosed |