Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30308541 | 0.75 | TSHR (0.37) | TSHRCYP2C19CYP3A4CYP2C9POLB | |
| SCHEMBL8635994 | 0.75 | TSHR (0.36) | TSHRCYP2C19CYP3A4CYP2C9POLB | |
| SCHEMBL2959541 | 0.74 | CYP1A2 (0.44) | TSHRALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL28537584 | 0.72 | ALDH1A1 (0.36) | TSHRCYP2C19CYP3A4CYP2C9POLB | |
| SCHEMBL2968803 | 0.71 | MAP2K7 (0.43) | TSHRCYP2C19CYP3A4CYP2C9POLB | |
| SCHEMBL921135 | 0.71 | CA12 (0.41) | TSHRPOLBALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11738928 | 0.70 | SMN1; SMN2 (0.35) | TSHRALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL4572616 | 0.70 | — | — | |
| SCHEMBL11816133 | 0.70 | KMT2A (0.41) | TSHRCYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL11736875 | 0.67 | ALDH1A1 (0.35) | TSHRCYP2C19CYP3A4CYP2C9ALDH1A1 |
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-112552268-B | Methyl furyl thioether flavor compounds with resistance to food-borne pathogenic bacteria and application thereof | 华南农业大学 | 2023-03-14 | — | — | CN | disclosed |
| CN-112552268-A | Methyl furyl thioether flavor compounds with food-borne pathogenic bacteria resistance and application thereof | 华南农业大学 | 2021-03-26 | — | — | CN | disclosed |