Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 7/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.43 |
| ▸ | HRH1 | P35367 | 4/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL7994398 | 0.79 | ADRA1A (0.49) | ADRA1AADRA1DADRA1BADRA2AADRA2B | |
| SCHEMBL2428794 | 0.78 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL5381132 | 0.77 | CA12 (0.46) | ADRA1AADRA1DADRA1BCA12CA1 | |
| SCHEMBL8010117 | 0.76 | ADRA1A (0.47) | ADRA1AADRA1DADRA1BADRA2AADRA2B | |
| SCHEMBL5379997 | 0.75 | CA12 (0.43) | CA12CA1CA2CA9F11 | |
| SCHEMBL5380141 | 0.74 | SMN1; SMN2 (0.40) | ADRA1AADRA1DADRA1BCA12CA1 | |
| SCHEMBL7662174 | 0.74 | ADRA1A (0.51) | ADRA1AADRA1DADRA1BADRA2AADRA2B | |
| SCHEMBL28001894 | 0.74 | LMNA (0.40) | FFAR4ALDH1A1ALDH2ALDH1A3 | |
| SCHEMBL31445952 | 0.74 | APP (0.40) | FFAR4CYP3A4CYP2D6 | |
| SCHEMBL23647368 | 0.72 | CA12 (0.43) | CA12CA1CA2CA9ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6339090-B1 | FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2002-01-15 | — | — | US | disclosed |
| 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 |
| WO-2000006565-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-02-10 | — | — | WO | disclosed |