Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28079216 | 0.84 | PTGDR2 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20729400 | 0.83 | NPC1 (0.44) | MKNK1RXRAGRIN1GRIN2BMAPK8 | |
| SCHEMBL28079268 | 0.79 | DDB1 (0.43) | MKNK1PTGDR2RXRAGRIN1GRIN2B | |
| SCHEMBL2690290 | 0.77 | CYP2A6 (0.45) | MKNK1 | |
| SCHEMBL28192194 | 0.75 | ALDH1A1 (0.50) | PTGDR2ALDH1A1SMN1; SMN2MAPK8MAPK10 | |
| SCHEMBL31517551 | 0.72 | PTGDR2 (0.46) | PTGDR2RXRAGRIN1GRIN2BMEN1 | |
| SCHEMBL31517384 | 0.72 | PTGDR2 (0.43) | PTGDR2RXRAGRIN1GRIN2BMEN1 | |
| SCHEMBL1419332 | 0.70 | EGFR (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20560807 | 0.70 | MEN1 (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL13835994 | 0.70 | PTGDR2 (0.55) | PTGDR2MEN1ALDH1A1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |