Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.69 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29740664 | 0.86 | S100B (0.60) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL10955324 | 0.86 | S100B (0.60) | S100BALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL15928738 | 0.84 | S100B (0.48) | S100BIGLV6-57ALDH1A1CYP3A4TDP1 | |
| SCHEMBL34104 | 0.82 | S100B (1.00) | S100BIGLV6-57ALDH1A1CYP3A4TDP1 | |
| SCHEMBL29350181 | 0.82 | S100B (1.00) | S100BIGLV6-57ALDH1A1CYP3A4TDP1 | |
| SCHEMBL13412501 | 0.81 | IGLV6-57 (0.49) | S100BIGLV6-57ALDH1A1ADRA2AADRA2B | |
| SCHEMBL16003239 | 0.81 | S100B (0.55) | S100BALDH1A1CYP3A4TDP1TSHR | |
| Hydrochloric Acid SCHEMBL3385174 | 0.80 | S100B (0.96) | S100BIGLV6-57ALDH1A1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL2136137 | 0.80 | S100B (0.96) | S100BIGLV6-57ALDH1A1CYP3A4TDP1 | |
| SCHEMBL5550263 | 0.79 | S100B (0.53) | S100BALDH1A1CYP3A4TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2692728-A1 | NOVEL FURANONE DERIVATIVE | SBI Biotech Co., Ltd. (JP) | 2014-02-05 | — | — | EP | disclosed |