Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28353129 | 0.81 | ACP3 (0.42) | CASP1OPRM1ADRB2ADRB1CYP2D6 | |
| SCHEMBL14521257 | 0.78 | KMT2A (0.53) | CYP2D6KMT2AALDH1A1 | |
| SCHEMBL5101666 | 0.74 | CASP1 (0.44) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL29975235 | 0.74 | CASP1 (0.44) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL29557046 | 0.74 | CASP1 (0.44) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL13306848 | 0.74 | CASP1 (0.44) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL1159853 | 0.74 | CASP1 (0.44) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL6487230 | 0.74 | ALDH1A1 (0.56) | CASP1ABCB11THRBNR1I2CHRM2 | |
| Hydrochloric Acid SCHEMBL29772137 | 0.73 | CASP1 (0.43) | CASP1ABCB11THRBNR1I2CHRM2 | |
| Hydrochloric Acid SCHEMBL30832053 | 0.73 | CASP1 (0.43) | CASP1ABCB11THRBNR1I2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019238057-A1 | APPLICATION OF FSO2N3 IN PREPARATION OF AZIDE | 中国科学院上海有机化学研究所 | 2019-12-19 | — | — | WO | disclosed |