Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CD44 | P16070 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18203013 | 0.87 | TDP1 (0.54) | ALDH1A1TDP1CYP3A4ALKBH3AHR | |
| SCHEMBL30839711 | 0.79 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL27185963 | 0.79 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL30839736 | 0.79 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL31607658 | 0.79 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL5843155 | 0.79 | ALOX15 (0.52) | ALDH1A1TDP1CYP3A4ALKBH3AHR | |
| SCHEMBL21020816 | 0.78 | ALKBH3 (0.49) | ALDH1A1TDP1ALKBH3AHRKDM4E | |
| SCHEMBL19886446 | 0.77 | CYP3A4 (0.54) | ALDH1A1TDP1CYP3A4CASP1AHR | |
| SCHEMBL18203016 | 0.76 | TDP1 (0.58) | ALDH1A1TDP1CYP3A4SMN1; SMN2KDM4E | |
| SCHEMBL19886445 | 0.75 | CYP3A4 (0.56) | ALDH1A1TDP1CYP3A4CASP1AHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3283459-B1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2019-05-22 | — | — | EP | disclosed |