Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.40 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL29503624 | 0.97 | — | — | |
| SCHEMBL365279 | 0.97 | — | — | |
| Lithium SCHEMBL30123866 | 0.95 | TSHR (0.48) | TSHRDYRK1AMCL1IMPDH2IMPDH1 | |
| SCHEMBL27878163 | 0.95 | TSHR (0.48) | TSHRDYRK1AMCL1IMPDH2IMPDH1 | |
| SCHEMBL28531044 | 0.95 | TSHR (0.48) | TSHRDYRK1AMCL1IMPDH2IMPDH1 | |
| SCHEMBL28971836 | 0.95 | TSHR (0.48) | TSHRDYRK1AMCL1IMPDH2IMPDH1 | |
| SCHEMBL30102568 | 0.95 | TSHR (0.48) | TSHRDYRK1AMCL1IMPDH2IMPDH1 | |
| Isobutanol SCHEMBL1665884 | 0.80 | TSHR (0.41) | TSHRDYRK1AESR2ALDH1A1HPGD | |
| SCHEMBL25760734 | 0.78 | ESR2 (0.48) | TSHRDYRK1AMCL1IMPDH2IMPDH1 | |
| SCHEMBL4342357 | 0.77 | DYRK1A (0.48) | TSHRDYRK1AMCL1IMPDH2IMPDH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113631038-B | Herbicidal 3-phenylisoxazoline-5-carboxamides containing S-cyclopentenyl carboxylic acid esters | 拜耳公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-115803320-A | Heterocyclyl pyrimidines and triazines as novel fungicides | 拜耳公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-115803317-A | Azabicyclo (thio) amides as fungicidal compounds | 拜耳作物科学股份公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-115551352-A | Active compound combinations and fungicide compositions comprising them | 拜耳公司 | 2022-12-30 | — | — | CN | disclosed |