Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 5/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28079385 | 0.84 | MKNK1 (0.41) | PTGDR2SMN1; SMN2RXRAGRIN1GRIN2B | |
| SCHEMBL19249155 | 0.81 | NPC1 (0.50) | RXRAGRIN1GRIN2BMAPK10MAPK8 | |
| SCHEMBL19248968 | 0.80 | GAA (0.53) | SMN1; SMN2 | |
| SCHEMBL28079268 | 0.80 | DDB1 (0.43) | PTGDR2SMN1; SMN2RXRAGRIN1GRIN2B | |
| SCHEMBL28192194 | 0.78 | ALDH1A1 (0.50) | PTGDR2SMN1; SMN2ALDH1A1MAPK10MAPK8 | |
| Hydrochloric Acid SCHEMBL28907478 | 0.77 | EPHX2 (0.62) | SMN1; SMN2RXRAGRIN1GRIN2BMEN1 | |
| SCHEMBL20273944 | 0.75 | IRAK4 (0.47) | SMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL2689806 | 0.74 | CYP2A6 (0.49) | — | |
| SCHEMBL20560807 | 0.73 | MEN1 (0.46) | PTGDR2SMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL13835994 | 0.73 | PTGDR2 (0.55) | PTGDR2SMN1; SMN2MEN1ALDH1A1KMT2A |
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 |