Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28839957 | 1.00 | CASP1 (0.47) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL16795806 | 1.00 | CASP1 (0.47) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL15540078 | 1.00 | CASP1 (0.47) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL30444119 | 1.00 | CASP1 (0.47) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL15538964 | 1.00 | CASP1 (0.47) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL18783343 | 1.00 | CASP1 (0.47) | CASP1ABCB11THRBNR1I2CHRM2 | |
| SCHEMBL17093307 | 0.83 | CASP1 (0.58) | CASP1ADRB2ADRB1KMT2ACYP2D6 | |
| SCHEMBL16808430 | 0.82 | KMT2A (0.44) | KMT2AALDH1A1 | |
| SCHEMBL16795791 | 0.82 | KMT2A (0.44) | KMT2AALDH1A1 | |
| SCHEMBL15539620 | 0.82 | KMT2A (0.44) | KMT2AALDH1A1 |
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-116234798-A | Sulfamate derivative compounds for the treatment or alleviation of psychotic disorders | 生物药品解决方案有限公司 | 2023-06-06 | — | — | CN | disclosed |