Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 3/20 | 0.36 |
| ▸ | GRIK3 | Q13003 | 3/20 | 0.36 |
| ▸ | GRIK5 | Q16478 | 3/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6510401 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL610562 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL4620869 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL610561 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL8778791 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL28146034 | 0.75 | ALDH1A1 (0.43) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL24664436 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TDP1 | |
| SCHEMBL6544624 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL6544619 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TDP1GRIK1CA2GRIA4 | |
| SCHEMBL5611081 | 0.73 | GRIK1 (0.42) | ALDH1A1TDP1GRIK1CA2GRIA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012123966-A1 | PROCESS FOR THE PREPARATION OF 4 -SUBSTITUTED -1, 4-DIHYDROPYRIDINES | ARCH PHARMALABS LIMITED (IN) | 2012-09-20 | — | — | WO | disclosed |