Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 4/20 | 0.46 |
| ▸ | GRIK2 | Q13002 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7085892 | 1.00 | GRIK1 (0.46) | GRIK1GRIK2CA1CA2CHRM1 | |
| SCHEMBL3383408 | 0.82 | CHRM1 (0.60) | GRIK1GRIK2CA2CHRM1AKR1A1 | |
| SCHEMBL139672 | 0.82 | CHRM1 (0.60) | GRIK1GRIK2CA2CHRM1AKR1A1 | |
| SCHEMBL5519522 | 0.82 | CHRM1 (0.60) | GRIK1GRIK2CA2CHRM1AKR1A1 | |
| SCHEMBL7081675 | 0.80 | GRIK1 (0.37) | GRIK1GRIK2CA1CA2CHRM1 | |
| SCHEMBL7134376 | 0.80 | GRIK1 (0.37) | GRIK1GRIK2CA1CA2CHRM1 | |
| SCHEMBL8017622 | 0.79 | CA2 (0.47) | GRIK1GRIK2CA1CA2CHRM1 | |
| SCHEMBL7082813 | 0.78 | GRIK1 (0.38) | GRIK1GRIK2CA1CA2CHRM1 | |
| SCHEMBL7085940 | 0.78 | GRIK1 (0.36) | GRIK1GRIK2CA1CA2CHRM1 | |
| Valpromide SCHEMBL35392 | 0.78 | CA2 (0.58) | GRIK1GRIK2CA1CA2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1330429-A2 | ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS | Abbott Laboratories (US) | 2003-07-30 | — | — | EP | disclosed |
| WO-2002036546-A2 | ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS | ABBOTT LABORATORIES (US) | 2002-05-10 | — | — | WO | disclosed |