Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | CBS | P35520 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20721979 | 0.93 | TSHR (0.35) | CYP2C19TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL31213025 | 0.76 | CYP1A2 (0.41) | CYP2C19TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL29387013 | 0.73 | TSHR (0.42) | CYP2C19TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL31213026 | 0.73 | CYP1A2 (0.38) | CYP2C19TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL11110482 | 0.71 | — | — | |
| SCHEMBL7175558 | 0.70 | CYP2C19 (0.33) | CYP2C19TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL869815 | 0.69 | ALDH1A1 (0.36) | CYP2C19TSHRUSP2ALDH1A1LMNA | |
| SCHEMBL5614014 | 0.69 | — | — | |
| SCHEMBL16544486 | 0.69 | — | — | |
| SCHEMBL4360209 | 0.69 | CYP2C19 (0.34) | CYP2C19TSHRUSP2ALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101125813-A | Method for synthesizing allyl cyclohexoxyacetate | HANGZHOU AROMA CHEMICAL COMPAN (CN) | 2008-02-20 | — | — | CN | disclosed |