Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 9/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14587508 | 0.85 | GPBAR1 (0.76) | GPBAR1TP53PKMADRA1DADRA1A | |
| SCHEMBL7932447 | 0.82 | GPBAR1 (0.56) | GPBAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL880351 | 0.77 | GPBAR1 (0.74) | GPBAR1TP53PKMTSHR | |
| SCHEMBL8004288 | 0.74 | ADRA1A (0.52) | GPBAR1TP53ADRA1DADRA1AADRA1B | |
| SCHEMBL7928701 | 0.74 | ADRA1A (0.52) | GPBAR1TP53ADRA1DADRA1AADRA1B | |
| SCHEMBL5661329 | 0.74 | ADRA1A (0.52) | GPBAR1TP53ADRA1DADRA1AADRA1B | |
| SCHEMBL17478025 | 0.73 | GPBAR1 (0.83) | GPBAR1TP53PKMTSHR | |
| SCHEMBL7662035 | 0.72 | ADRA1D (0.42) | GPBAR1ADRA1DADRA1AADRA1BALDH1A1 | |
| SCHEMBL7683294 | 0.72 | ADRA1D (0.44) | GPBAR1ADRA1DADRA1AADRA1BALDH1A1 | |
| SCHEMBL7665729 | 0.71 | ADRA1D (0.47) | GPBAR1ADRA1DADRA1AADRA1BALDH1A1 |
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 |