Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29559831 | 1.00 | TDP1 (0.39) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL28691729 | 0.87 | SLC6A4 (0.38) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22897932 | 0.84 | SLC6A4 (0.36) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL29116803 | 0.84 | TDP1 (0.50) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22897759 | 0.83 | SLC6A4 (0.40) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL29559582 | 0.83 | SLC6A4 (0.40) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22897742 | 0.82 | SLC6A4 (0.39) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL23615909 | 0.79 | TDP1 (0.45) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL22897579 | 0.79 | TDP1 (0.45) | TDP1CYP3A4ALOX15TP53THRB | |
| SCHEMBL11725792 | 0.77 | TDP1 (0.43) | TDP1CYP3A4ALOX15TP53THRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021011722-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-01-21 | — | — | WO | disclosed |