Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Cyclobutanol SCHEMBL28699936 | 0.88 | — | — | |
| Cyclohexanol SCHEMBL241715 | 0.88 | TSHR (0.67) | TSHREPHX1CES2CES1NPC1 | |
| Cyclohexanol SCHEMBL30598077 | 0.88 | TSHR (0.67) | TSHREPHX1CES2CES1NPC1 | |
| Carbamic Acid SCHEMBL11163971 | 0.87 | — | — | |
| Cyclohexanol SCHEMBL9465361 | 0.86 | TSHR (0.56) | TSHREPHX1CES2CES1ALOX5 | |
| Cyclohexanol SCHEMBL9692875 | 0.85 | TSHR (0.62) | TSHREPHX1CES2CES1NPC1 | |
| Cyclopentanol SCHEMBL11102072 | 0.84 | TSHR (0.71) | TSHREPHX1CES2CES1NPC1 | |
| Cyclohexanol SCHEMBL9474284 | 0.84 | — | — | |
| Cyclohexanol SCHEMBL868909 | 0.82 | TSHR (0.59) | TSHREPHX1CES2CES1NPC1 | |
| Acetic Acid SCHEMBL6048336 | 0.82 | TSHR (0.59) | TSHREPHX1CES2CES1NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114262319-B | Bifunctional molecule, preparation method and application thereof | 南昌奥瑞药业有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-114262319-A | Bifunctional molecules, preparation method and application thereof | 南昌奥瑞药业有限公司 | 2022-04-01 | — | — | CN | disclosed |
| EP-0515420-B1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-12 | — | — | EP | disclosed |
| EP-0515420-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991012230-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-22 | — | — | WO | disclosed |