Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14041113 | 1.00 | TSHR (0.39) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL24127543 | 0.97 | TSHR (0.43) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL23191708 | 0.95 | TSHR (0.39) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL25684863 | 0.95 | TSHR (0.39) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL25064685 | 0.95 | TSHR (0.39) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL25001268 | 0.95 | TSHR (0.46) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL17573237 | 0.92 | TSHR (0.45) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL20636071 | 0.92 | — | — | |
| SCHEMBL15929564 | 0.92 | TSHR (0.45) | TSHRCYP2C9CYP2C19TDP1CYP2D6 | |
| SCHEMBL2101753 | 0.92 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124582-B | Derivatives containing 2,9-dimethyl hexadecanoic macrolide parent nucleus for resisting rhizoctonia solani, and preparation method and application thereof | 南京中医药大学 | 2024-02-23 | — | — | CN | disclosed |
| CN-115124582-A | 2,9-dimethyl hexadecanoid macrolide parent nucleus-containing derivative for resisting rhizoctonia solani, and preparation method and application thereof | 南京中医药大学 | 2022-09-30 | — | — | CN | disclosed |