Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10352764 | 1.00 | ABCB1 (0.39) | ABCB1ALDH1A1SMN1; SMN2CCNCCDK8 | |
| SCHEMBL10352789 | 0.84 | ALDH1A1 (0.39) | ABCB1ALDH1A1SMN1; SMN2GAAHTT | |
| SCHEMBL10352788 | 0.84 | ALDH1A1 (0.39) | ABCB1ALDH1A1SMN1; SMN2GAAHTT | |
| SCHEMBL10352775 | 0.84 | ALDH1A1 (0.36) | ABCB1ALDH1A1SMN1; SMN2CCNCCDK8 | |
| SCHEMBL10840095 | 0.83 | NPSR1 (0.36) | ABCB1ALDH1A1SMN1; SMN2KMT2ANPSR1 | |
| SCHEMBL5336696 | 0.77 | ABCB1 (0.49) | ABCB1ALDH1A1SMN1; SMN2GAAHTT | |
| SCHEMBL5336688 | 0.77 | ABCB1 (0.49) | ABCB1ALDH1A1SMN1; SMN2GAAHTT | |
| SCHEMBL9861252 | 0.75 | GAA (0.38) | ALDH1A1SMN1; SMN2GAAHTTMEN1 | |
| SCHEMBL10840090 | 0.74 | ALDH1A1 (0.39) | ABCB1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9861207 | 0.73 | KMT2A (0.49) | ALDH1A1HTTMAPTKMT2AHDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0177222-B1 | CYCLOHEXANE-1,3-DIONE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PROCESSES FOR PREPARING THEM, AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS | ICI AUSTRALIA LIMITED (AU) | 1990-06-27 | — | — | EP | disclosed |
| US-4604128-A | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1986-08-05 | — | — | US | disclosed |