Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 15/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7924014 | 0.82 | GPBAR1 (0.55) | GPBAR1ADRA1AADRA1DADRA1B | |
| SCHEMBL7662035 | 0.82 | ADRA1D (0.42) | GPBAR1ADRA1AADRA1DADRA1BMEN1 | |
| SCHEMBL7683294 | 0.79 | ADRA1D (0.44) | GPBAR1ADRA1AADRA1DADRA1BMEN1 | |
| SCHEMBL7665729 | 0.78 | ADRA1D (0.47) | GPBAR1ADRA1AADRA1DADRA1BMEN1 | |
| SCHEMBL7930709 | 0.74 | ADRA1A (0.55) | GPBAR1ADRA1AADRA1DADRA1BKMT2A | |
| SCHEMBL7930713 | 0.74 | ADRA1A (0.55) | GPBAR1ADRA1AADRA1DADRA1BKMT2A | |
| SCHEMBL17478239 | 0.72 | GPBAR1 (1.00) | GPBAR1MEN1KMT2A | |
| SCHEMBL14587508 | 0.70 | GPBAR1 (0.76) | GPBAR1ADRA1AADRA1DADRA1B | |
| SCHEMBL13698259 | 0.67 | CYP19A1 (0.59) | ADRA1AADRA1DADRA1BKMT2A | |
| SCHEMBL2724266 | 0.65 | P2RX7 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235759-B1 | BENIGN PROSTATIC HYPERPLASIA; HYPOTENSIVE AGENTS | MERCK & CO., INC. | 2001-05-22 | — | — | US | disclosed |
| WO-2000025782-A1 | DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |