Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ZDHHC20 | Q5W0Z9 | 3/20 | 0.46 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5081835 | 0.93 | ZDHHC20 (0.49) | ZDHHC20ZDHHC2TSHRCYP1A2MAPK1 | |
| SCHEMBL4170086 | 0.93 | ZDHHC20 (0.49) | ZDHHC20ZDHHC2TSHRCYP1A2MAPK1 | |
| SCHEMBL19999960 | 0.92 | TSHR (0.43) | ZDHHC20ZDHHC2TSHRCYP1A2MAPK1 | |
| SCHEMBL10646289 | 0.89 | KCNH2 (0.47) | ZDHHC20ZDHHC2DNM1KCNH2 | |
| SCHEMBL240366 | 0.87 | TSHR (0.43) | ZDHHC20ZDHHC2TSHRCYP1A2MAPK1 | |
| SCHEMBL19497014 | 0.85 | TSHR (0.42) | ZDHHC20ZDHHC2TSHRCYP1A2MAPK1 | |
| SCHEMBL20369039 | 0.84 | CYP1A2 (0.48) | ZDHHC20ZDHHC2TSHRCYP1A2MAPK1 | |
| SCHEMBL21467473 | 0.83 | KCNH2 (0.44) | ZDHHC20ZDHHC2TSHRCYP1A2MAPK1 | |
| SCHEMBL11143458 | 0.80 | ZDHHC20 (0.51) | ZDHHC20ZDHHC2TSHRCYP1A2DNM1 | |
| SCHEMBL31264715 | 0.80 | CYP1A2 (0.41) | ZDHHC20ZDHHC2CYP1A2MAPK1KCNH2 |
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 | disclosed |
| US-4523013-A | 4-Acyl-2,6-dioxo-1-phenethyl piperozines | SANOFI, S.A. (FR) | 1985-06-11 | — | — | US | disclosed |
| EP-0086678-A1 | 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) | 1983-08-24 | — | — | EP | disclosed |