Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.55 |
| ▸ | PTGES | O14684 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL9303477 | 0.75 | SLC6A4 (0.41) | HPGDMAPK1 | |
| SCHEMBL15893723 | 0.75 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL29389267 | 0.71 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8091302 | 0.71 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Acetonitrile SCHEMBL9302780 | 0.70 | CYP3A4 (0.33) | ADRA2AADRA2BADRA2CCYP3A4MAPK1 | |
| SCHEMBL10350070 | 0.68 | ADRA2A (0.77) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6409879 | 0.67 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL10349229 | 0.65 | ADRA2A (0.84) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL10723245 | 0.65 | ADRA2A (0.84) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL9421169 | 0.64 | ADRA2A (0.65) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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-5310750-A | Heterocyclic compounds useful as α2 -adrenoceptor antagonists | BEECHAM GROUP P.L.C. (GB) | 1994-05-10 | — | — | US | disclosed |
| EP-0313288-B1 | IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALPHA 2-ADRENO-RECEPTOR ANTAGONISTS | BEECHAM GROUP PLC (GB) | 1992-12-30 | — | — | EP | disclosed |
| US-5021445-A | Hyperglycemic and hypertensive agents; anticoagulants, alpha2-adrenoceptor antagonists | BEECHAM GROUP P.L.C. (GB) | 1991-06-04 | — | — | US | disclosed |
| EP-0313288-A1 | Imidazole derivatives, process for their preparation and their use as alpha 2-adreno-receptor antagonists | BEECHAM GROUP PLC (GB) | 1989-04-26 | — | — | EP | disclosed |