Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | CPT1A | P50416 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28832706 | 0.84 | TBXA2R (0.34) | TBXA2RCHRM3GPR119CNR1NPSR1 | |
| SCHEMBL28087406 | 0.70 | KCNK3 (0.37) | TBXA2RGPR119FAAH | |
| SCHEMBL28081660 | 0.67 | CYP2C19 (0.37) | TBXA2RPOLBNPSR1HPGD | |
| SCHEMBL1287484 | 0.66 | BCHE (0.47) | TBXA2R | |
| SCHEMBL15467458 | 0.65 | SLC6A2 (0.41) | CHRM3 | |
| SCHEMBL791815 | 0.64 | NPC1 (0.40) | NPSR1 | |
| Acetic Acid SCHEMBL28296133 | 0.63 | TDP1 (0.46) | — | |
| SCHEMBL17066980 | 0.63 | TDP1 (0.41) | POLB | |
| SCHEMBL5516950 | 0.62 | ALDH1A1 (0.52) | — | |
| SCHEMBL8727056 | 0.62 | BCHE (0.44) | TBXA2RCHRM3 |
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-106188002-A | A kind of substituted piperidine base ethyl n-butyrate. quaternary ammonium salt and preparation method thereof | 重庆华邦制药有限公司 | 2016-12-07 | — | — | CN | disclosed |