Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.39 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.39 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15464470 | 0.83 | TSHR (0.45) | TSHRALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL23315526 | 0.80 | HPGD (0.48) | TSHRHPGDCYP4Z1CYP4F11CYP4F12 | |
| SCHEMBL14392002 | 0.79 | HDAC8 (0.40) | ALDH1A1HPGDKMT2AMAPTEPHX2 | |
| SCHEMBL3669296 | 0.79 | NPSR1 (0.52) | ALDH1A1 | |
| SCHEMBL11688541 | 0.78 | ESR1 (0.49) | TSHRALDH1A1HPGD | |
| SCHEMBL10750673 | 0.77 | NPC1 (0.50) | ALDH1A1KMT2AMAPTNR3C1NR3C2 | |
| SCHEMBL13061462 | 0.77 | TSHR (0.50) | TSHRALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL35210191 | 0.77 | GAA (0.47) | ALDH1A1KMT2AMAPT | |
| SCHEMBL9689485 | 0.77 | TNKS2 (0.53) | ALDH1A1NR3C1NR3C2 | |
| SCHEMBL7660524 | 0.76 | HDAC3 (0.47) | HPGD |
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-0176294-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) | 1991-06-05 | — | — | EP | disclosed |
| US-4639267-A | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1987-01-27 | — | — | US | disclosed |
| EP-0176294-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) | 1986-04-02 | — | — | EP | disclosed |