Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866074 | 0.93 | ADRA1A (0.45) | PARP1ADRA1AADRA2AKDM4EALDH1A1 | |
| SCHEMBL8865236 | 0.88 | ADRA1A (0.51) | ADRA1AADRA2ACA1CA2 | |
| SCHEMBL7097683 | 0.87 | ADRA1A (0.40) | ADRA1AADRA2ACA1CA2 | |
| SCHEMBL7101744 | 0.80 | ADRA2A (0.48) | ADRA1AADRA2ACA1CA2 | |
| Hydrochloric Acid SCHEMBL7104810 | 0.80 | ADRA2A (0.48) | ADRA1AADRA2ACA1CA2 | |
| SCHEMBL9814131 | 0.78 | ADRA1A (0.47) | PARP1ADRA1AADRA2AKDM4EALDH1A1 | |
| SCHEMBL8865796 | 0.78 | ADRA2A (0.49) | ADRA1AADRA2A | |
| SCHEMBL8865794 | 0.77 | ADRA1A (0.37) | ADRA1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL10750313 | 0.77 | ADRA1A (0.46) | PARP1ADRA1AADRA2AKDM4EALDH1A1 | |
| SCHEMBL8865945 | 0.77 | HTR1A (0.41) | — |
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-5658938-A | HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS | U C B S.A. (BE) | 1997-08-19 | — | — | US | disclosed |
| EP-0717037-A1 | Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity | U C B, S.A. (BE) | 1996-06-19 | — | — | EP | disclosed |