Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | SELL | P14151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9327250 | 0.67 | TRPA1 (0.43) | TRPA1TP53TDP1LMNACHRM1 | |
| SCHEMBL4711506 | 0.66 | CSNK2A1 (0.43) | TRPA1TP53TDP1LMNACHRM1 | |
| SCHEMBL17042719 | 0.66 | TRPA1 (0.42) | TRPA1TP53TDP1LMNACHRM1 | |
| SCHEMBL11702433 | 0.66 | CNR2 (0.51) | TRPA1TP53ALOX15HSD17B10ALDH1A1 | |
| SCHEMBL12924698 | 0.65 | TRPA1 (0.46) | TRPA1TP53TDP1LMNACHRM1 | |
| SCHEMBL4665594 | 0.64 | FTO (0.54) | TRPA1TP53TDP1LMNACHRM1 | |
| SCHEMBL4606696 | 0.63 | CNR2 (0.46) | TRPA1KMT2AGAAMEN1CNR2 | |
| SCHEMBL5446714 | 0.63 | ESR1 (0.53) | TRPA1TP53TDP1LMNACHRM1 | |
| SCHEMBL20647947 | 0.63 | SIGMAR1 (0.33) | SLC6A2ALDH1A1KMT2APOLB | |
| SCHEMBL340066 | 0.62 | TRPA1 (0.68) | TRPA1TP53TDP1LMNACHRM1 |
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-108727320-A | The method that 4- chloro oxinane class compounds are catalyzed and synthesized using cyclopentadienyl titanium dichloride as lewis acid and chloride-ion source | 陕西师范大学 | 2018-11-02 | — | — | CN | disclosed |