Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 4/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1647079 | 0.76 | PNMT (0.46) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL16518065 | 0.74 | PNMT (0.53) | PNMTADRA2AADRA2BADRA2C | |
| Acetonitrile SCHEMBL9304081 | 0.70 | ADRA2A (0.55) | CYP3A4MAPK1ADRA2AADRA2BADRA2C | |
| SCHEMBL8909616 | 0.66 | HTR2C (0.50) | CYP3A4MAPK1PNMTADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL21521392 | 0.63 | LMNA (0.36) | MAPK1KCNH2 | |
| Hydrochloric Acid SCHEMBL31335770 | 0.63 | HTR2A (0.41) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL6188234 | 0.62 | PNMT (0.63) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL10773279 | 0.62 | BCL2L1 (0.45) | CYP3A4MAPK1CA1CA2 | |
| Chlorindanol SCHEMBL29929703 | 0.62 | CYP3A4 (0.42) | CYP3A4MAPK1CA1CA2 | |
| 2-Chlorophenol SCHEMBL27794877 | 0.62 | ALDH1A1 (0.71) | CYP3A4CA1CA2 |
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 |