Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28291170 | 1.00 | CHRM1 (0.44) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28175934 | 0.96 | TDP1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28094716 | 0.93 | CA2 (0.45) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28093195 | 0.92 | GRIK1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28275897 | 0.90 | CA2 (0.45) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28107482 | 0.90 | CA2 (0.45) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28300284 | 0.90 | CA2 (0.45) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28206365 | 0.90 | CA2 (0.47) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28244000 | 0.89 | GRIK1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28211999 | 0.89 | GRIK1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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-108473478-A | TBK/IKK inhibitor compounds and uses thereof | 默克专利有限公司 | 2018-08-31 | — | — | CN | disclosed |