Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.62 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LSS | P48449 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL183947 | 1.00 | — | — | |
| SCHEMBL10569491 | 1.00 | CYP1A2 (0.62) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL10569484 | 1.00 | CYP1A2 (0.62) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL997470 | 0.97 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL2048536 | 0.97 | — | — | |
| SCHEMBL8462718 | 0.97 | CYP1A2 (0.67) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL6753110 | 0.97 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL1847927 | 0.97 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| Bromide SCHEMBL9837977 | 0.97 | — | — | |
| SCHEMBL6749100 | 0.97 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 |
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-0125059-A2 | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1984-11-14 | — | — | EP | claimed |
| EP-3077361-B1 | USE OF CYCLOHEXANOIC ACID DERIVATIVES AS PLASTICIZERS | RUDOLPH THOMAS (CH) | 2019-06-12 | — | — | EP | disclosed |
| EP-2846763-B1 | USE OF ANTIMICROBIAL ETHERS OF CYCLOHEXANOL | MERCK PATENT GMBH (DE) | 2017-02-08 | — | — | EP | disclosed |