Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 4/20 | 0.51 |
| ▸ | GRIK2 | Q13002 | 4/20 | 0.51 |
| ▸ | PAM | P19021 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7264360 | 1.00 | GRIK1 (0.51) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL27989732 | 0.88 | GRIK1 (0.62) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL27689553 | 0.88 | GRIK1 (0.62) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL6188960 | 0.79 | GRIK1 (0.54) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL6188957 | 0.79 | GRIK1 (0.54) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL13258634 | 0.77 | GRIK1 (0.63) | GRIK1GRIK2PAMHTR2ACYP2C19 | |
| SCHEMBL31506964 | 0.76 | PAM (0.52) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL5835825 | 0.75 | GRIK1 (0.50) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL5835829 | 0.75 | GRIK1 (0.50) | GRIK1GRIK2PAMHTR2APIN1 | |
| SCHEMBL4872078 | 0.75 | GRIK1 (0.57) | GRIK1GRIK2PAMHTR2APIN1 |
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-6642035-B2 | Synthesis of B-keto esters | THE SCRIPPS RESEARCH INSTITUTE | 2003-11-04 | — | — | US | disclosed |
| US-20020102671-A1 | Synthesis of B-keto esters | SCRIPPS RESEARCH INSTITUTE, THE | 2002-08-01 | — | — | US | disclosed |