Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.49 |
| ▸ | FEN1 | P39748 | 1/20 | 0.49 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11965000 | 0.74 | CDK8 (0.44) | ALDH1A1GAACDK8ACVR1KDM4E | |
| SCHEMBL18797115 | 0.72 | CDK8 (0.35) | ERCC1FEN1ERCC4ALDH1A1CDK8 | |
| SCHEMBL469635 | 0.70 | KDM4E (0.39) | ALDH1A1GAACDK8ACVR1KDM4E | |
| SCHEMBL18131562 | 0.70 | CDK8 (0.38) | ALDH1A1CDK8ACVR1KDM4EHPGD | |
| SCHEMBL17224789 | 0.70 | DHFR (0.43) | ALDH1A1GAACDK8ACVR1KDM4E | |
| SCHEMBL9118620 | 0.69 | ALDH1A1 (0.49) | ERCC1FEN1ERCC4ALDH1A1KDM4E | |
| SCHEMBL18797103 | 0.69 | KDM4E (0.36) | ALDH1A1CDK8ACVR1KDM4EHTT | |
| SCHEMBL3789703 | 0.69 | MAPK8 (0.38) | ALDH1A1GAACDK8ACVR1HPGD | |
| SCHEMBL2484646 | 0.69 | MAPT (0.44) | ALDH1A1CDK8ACVR1KDM4ESMN1; SMN2 | |
| SCHEMBL15064066 | 0.69 | GSK3B (0.49) | — |
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-2011045271-A1 | HERBICIDALLY ACTIVE, HETEROCYCLYL-SUBSTITUTED PYRIDAZINONES | BAYER CROPSCIENCE AG (DE) | 2011-04-21 | — | — | WO | disclosed |