Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29116803 | 0.84 | TDP1 (0.50) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL28674129 | 0.83 | TACR1 (0.40) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL22897920 | 0.81 | SLC6A4 (0.41) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL23615909 | 0.79 | TDP1 (0.45) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL22897579 | 0.79 | TDP1 (0.45) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL11725792 | 0.77 | TDP1 (0.43) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL22897933 | 0.77 | TDP1 (0.39) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL29559831 | 0.77 | TDP1 (0.39) | TACR1ALDH1A1CYP3A4TDP1ALOX15 | |
| SCHEMBL22897852 | 0.76 | TDP1 (0.42) | ALDH1A1CYP3A4TDP1ALOX15TP53 | |
| SCHEMBL29559533 | 0.76 | TDP1 (0.42) | ALDH1A1CYP3A4TDP1ALOX15TP53 |
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-114072000-A | Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |
| WO-2021011722-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-01-21 | — | — | WO | disclosed |