Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091009 | 0.80 | GRIK1 (0.48) | GRIK1GRIK2MAOBAOC3CYP2D6 | |
| SCHEMBL2091007 | 0.80 | GRIK1 (0.48) | GRIK1GRIK2MAOBAOC3CYP2D6 | |
| SCHEMBL16841023 | 0.77 | ACACB (0.44) | MAOBAOC3ACACBFFAR1NOTUM | |
| SCHEMBL19599384 | 0.76 | ACACB (0.42) | MAOBAOC3ACACBNOTUMPTGER4 | |
| SCHEMBL13790221 | 0.74 | CYP2D6 (0.50) | GRIK1GRIK2MAOBAOC3CYP2D6 | |
| SCHEMBL4078920 | 0.74 | GRIK1 (0.51) | GRIK1GRIK2MAOBAOC3CYP2D6 | |
| SCHEMBL4078921 | 0.74 | GRIK1 (0.51) | GRIK1GRIK2MAOBAOC3CYP2D6 | |
| SCHEMBL1065335 | 0.74 | ACACB (0.43) | MAOBAOC3ACACBFFAR1NOTUM | |
| SCHEMBL74114 | 0.74 | GRIK1 (0.48) | GRIK1GRIK2MAOBAOC3CYP2D6 | |
| SCHEMBL80921 | 0.74 | ACACB (0.46) | MAOBAOC3ACACBHRH3FFAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2870218-B1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2018-05-02 | — | — | EP | disclosed |