Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Cyclohexanol SCHEMBL596771 | 0.85 | TSHR (0.50) | TSHRTRPA1ESR2ALDH1A1 | |
| Cyclohexanol SCHEMBL595842 | 0.85 | TSHR (0.50) | TSHRTRPA1ESR2ALDH1A1 | |
| SCHEMBL20902010 | 0.83 | TSHR (0.41) | TSHRTRPA1ESR2 | |
| SCHEMBL3894048 | 0.81 | — | — | |
| SCHEMBL9815694 | 0.80 | TSHR (0.43) | TSHRTRPA1ESR2 | |
| SCHEMBL16750985 | 0.78 | — | — | |
| SCHEMBL16730136 | 0.78 | — | — | |
| SCHEMBL180095 | 0.78 | — | — | |
| SCHEMBL28550690 | 0.78 | — | — | |
| SCHEMBL304734 | 0.78 | — | — |
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-1051461-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR, William C. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999066009-A2 | FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE | ORR WILLIAM C (US) | 1999-12-23 | — | — | WO | disclosed |