Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL446559 | 1.00 | ALDH1A1 (0.41) | ALDH1A1GAACASP1MAPTTHRB | |
| Sulfuric Acid SCHEMBL2987321 | 0.90 | ALDH1A1 (0.52) | ALDH1A1GAACASP1MAPTTHRB | |
| SCHEMBL11584910 | 0.84 | CASP1 (0.38) | ALDH1A1GAACASP1MAPTTHRB | |
| SCHEMBL5555398 | 0.83 | GAA (0.35) | ALDH1A1GAAMAPTKDM4ETSHR | |
| SCHEMBL2770647 | 0.82 | ALDH1A1 (0.44) | ALDH1A1GAAMAPTTDP1MEN1 | |
| SCHEMBL17385275 | 0.82 | CASP1 (0.44) | ALDH1A1GAACASP1MAPTTHRB | |
| SCHEMBL213570 | 0.82 | CASP1 (0.44) | ALDH1A1GAACASP1MAPTTHRB | |
| SCHEMBL33893 | 0.81 | CASP1 (0.42) | ALDH1A1GAACASP1MAPTTHRB | |
| SCHEMBL29433029 | 0.81 | CASP1 (0.42) | ALDH1A1GAACASP1MAPTTHRB | |
| SCHEMBL28252731 | 0.81 | CASP1 (0.42) | ALDH1A1GAACASP1MAPTTHRB |
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-111440077-B | Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in antiallergic hair dye | 上海舒尔发化妆品科技有限公司 | 2022-07-22 | — | — | CN | disclosed |