Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 18/20 | 0.59 |
| ▸ | ADRA1D | P25100 | 11/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 11/20 | 0.42 |
| ▸ | HRH1 | P35367 | 6/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7924097 | 0.92 | ADRA1A (0.57) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7994822 | 0.86 | ADRA1A (0.57) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL8009457 | 0.82 | ADRA1A (0.40) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7932828 | 0.79 | ADRA1A (0.57) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7928708 | 0.78 | ADRA1A (0.55) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7930708 | 0.77 | ADRA1A (0.55) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7994406 | 0.76 | ADRA1A (0.52) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7924068 | 0.75 | ADRA1A (0.57) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7932381 | 0.74 | ADRA1A (1.00) | ADRA1AADRA1DADRA1BHRH1ADRA2A | |
| SCHEMBL7930721 | 0.74 | ADRA1A (0.38) | ADRA1AADRA1DADRA1BHRH1ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000025782-A1 | DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | claimed |