Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.44 |
| ▸ | TOP2A | P11388 | 2/20 | 0.44 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.39 |
| ▸ | FAAH | O00519 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11383117 | 0.94 | PTGS1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL5707893 | 0.85 | TOP2A (0.48) | ALDH1A1CYP2C19PTGS1TOP2ATOP2B | |
| SCHEMBL9752550 | 0.84 | TOP2A (0.47) | ALDH1A1CYP2C19PTGS1TOP2ATOP2B | |
| SCHEMBL9229895 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL8029443 | 0.80 | ALOX5 (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL728996 | 0.79 | TOP2A (0.50) | ALDH1A1CYP2C19PTGS1TOP2ATOP2B | |
| SCHEMBL461664 | 0.78 | CRBN (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL974631 | 0.77 | THRB (0.51) | ALOX5GNAI3GNAO1GNAI1THRB | |
| SCHEMBL162839 | 0.76 | ALOX5 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL6233217 | 0.76 | ALOX5 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0086678-B1 | PROCESS FOR THE PREPARATION OF 2-ACYL-1,3,4,6,7,11B-2H-HEXAHYDRO-4-PYRAZINO(2,1-A)ISOQUINOLINONES AND INTERMEDIATES | ELF SANOFI (FR) | 1985-07-03 | — | — | EP | claimed |
| US-4523013-A | 4-Acyl-2,6-dioxo-1-phenethyl piperozines | SANOFI, S.A. (FR) | 1985-06-11 | — | — | US | disclosed |
| US-4523013-A | 4-Acyl-2,6-dioxo-1-phenethyl piperozines | SANOFI, S.A. (FR) | 1985-06-11 | — | — | US | disclosed |