Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.61 |
| ▸ | MGAM | O43451 | 1/20 | 0.61 |
| ▸ | SI | P14410 | 1/20 | 0.61 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21832 | 0.98 | GAA (0.64) | GAAMGAMSIMGAM2ALDH1A1 | |
| Propane SCHEMBL28283402 | 0.95 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28167636 | 0.95 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28225600 | 0.95 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28164171 | 0.95 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL17433596 | 0.95 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL17433547 | 0.95 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28142546 | 0.95 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL27604412 | 0.93 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL3297476 | 0.93 | GAA (0.58) | GAAMGAMSIMGAM2ALDH1A1 |
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-110272389-A | A method of synthesis 4- Polyfluoroalkyl -3,5- dicarbapentaborane pyrazole compound | 福州大学 | 2019-09-24 | — | — | CN | disclosed |