Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL20659158 | 0.81 | L3MBTL1 (0.35) | CYP1A2CYP3A4CYP2D6ALDH1A1CLK4 | |
| SCHEMBL14951063 | 0.80 | ACHE (0.50) | CYP19A1CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL30957326 | 0.79 | NPC1 (0.56) | CYP19A1ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL30957364 | 0.79 | MAOB (0.46) | CYP19A1CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29685386 | 0.79 | SYK (0.50) | CYP19A1CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL16790012 | 0.75 | CYP1A2 (0.62) | CYP19A1CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL11133670 | 0.75 | CBFB (0.46) | NPC1RAB9A | |
| SCHEMBL11608972 | 0.74 | MAOA (0.49) | ALDH1A1NPC1RAB9AKDM4EHSD17B10 | |
| SCHEMBL27090 | 0.69 | CA2 (0.54) | CYP1A2CYP3A4ALDH1A1KDM4EGAA | |
| SCHEMBL30957391 | 0.69 | CSF1R (0.40) | CYP19A1PDGFRBNPC1RAB9AKDM4E |
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-3655402-A1 | SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2020-05-27 | — | — | EP | disclosed |