Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL28593113 | 0.86 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Methacrylic Acid SCHEMBL21811332 | 0.86 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Methacrylic Acid SCHEMBL27968087 | 0.86 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Methacrylic Acid SCHEMBL6743789 | 0.86 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Methacrylic Acid SCHEMBL180731 | 0.86 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Methacrylic Acid SCHEMBL19630365 | 0.85 | ALDH1A1 (0.86) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Methacrylic Acid SCHEMBL28613571 | 0.85 | ALDH1A1 (0.86) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Acetic Acid SCHEMBL866942 | 0.85 | ALDH1A1 (0.93) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Bicarbonate SCHEMBL5168901 | 0.85 | ALDH1A1 (0.93) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL5098171 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 |
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-116960450-A | Electrolyte composition, solid-like electrolyte and lithium ion battery comprising same | 财团法人工业技术研究院 | 2023-10-27 | — | — | CN | disclosed |