Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10352765 | 0.84 | ABCB1 (0.39) | ALDH1A1CCNCCDK8ABCB1TSHR | |
| SCHEMBL10352764 | 0.84 | ABCB1 (0.39) | ALDH1A1CCNCCDK8ABCB1TSHR | |
| SCHEMBL1251242 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRPDE3BPDE3AMAPT | |
| SCHEMBL5883114 | 0.75 | NPSR1 (0.41) | ALDH1A1CCNCCDK8TSHRNPSR1 | |
| SCHEMBL12808519 | 0.75 | NPSR1 (0.61) | ALDH1A1CCNCCDK8TSHRNPSR1 | |
| SCHEMBL5348731 | 0.74 | TAAR1 (0.50) | ALDH1A1TSHRNPSR1MAPTHSD17B10 | |
| SCHEMBL6498578 | 0.74 | KMT2A (0.46) | ALDH1A1CCNCCDK8TSHRNPSR1 | |
| SCHEMBL9861207 | 0.73 | KMT2A (0.49) | ALDH1A1TSHRPDE3BPDE3AMAPT | |
| SCHEMBL3922340 | 0.73 | ALDH1A1 (0.40) | ALDH1A1CCNCCDK8TSHRNPSR1 | |
| SCHEMBL1225993 | 0.73 | KMT2A (0.41) | ALDH1A1MAPTKMT2AKDM4EL3MBTL1 |
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 3 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 |
| EP-0177222-A1 | 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) | 1986-04-09 | — | — | EP | disclosed |