Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ATP4A | P20648 | 1/20 | 0.33 |
| ▸ | ATP4B | P51164 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27702930 | 0.98 | CD44 (0.42) | CD44ALDH1A1GLATAAR1TP53 | |
| Methane SCHEMBL27546774 | 0.84 | CD44 (0.38) | CD44ALDH1A1TAAR1TP53CYP3A4 | |
| SCHEMBL28198362 | 0.80 | PKM (0.42) | ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL14248992 | 0.79 | ALDH1A1 (0.42) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL7049331 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GLATAAR1TSHRCYP2A13 | |
| SCHEMBL31438264 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GLATAAR1TSHRCYP2A13 | |
| SCHEMBL28335494 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GLATAAR1TSHRCYP2A13 | |
| SCHEMBL2919613 | 0.79 | CYP3A4 (0.45) | CD44ALDH1A1GLATAAR1TP53 | |
| SCHEMBL4271405 | 0.79 | G6PD (0.35) | ALDH1A1TAAR1TP53CYP3A4TSHR | |
| SCHEMBL3117388 | 0.78 | ALDH1A1 (0.41) | ALDH1A1GLATAAR1TP53CYP3A4 |
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-112442256-A | Epoxy resin-based high polymer material and preparation method and application thereof | 南京大学 | 2021-03-05 | — | — | CN | disclosed |