Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22799449 | 0.97 | PARP1 (0.40) | PARP1PDK2AKR1A1AKR1B1SIGMAR1 | |
| SCHEMBL20121806 | 0.87 | PDK2 (0.49) | PDK2AKR1A1AKR1B1 | |
| SCHEMBL22799413 | 0.85 | PDK2 (0.47) | PDK2AKR1A1AKR1B1SIGMAR1DRD2 | |
| SCHEMBL22797225 | 0.84 | PDK2 (0.39) | PARP1PDK2SIGMAR1DRD2DRD4 | |
| SCHEMBL22797336 | 0.84 | PDK2 (0.43) | PDK2AKR1A1AKR1B1SIGMAR1DRD2 | |
| SCHEMBL22797700 | 0.82 | PDK2 (0.42) | PDK2AKR1A1AKR1B1RAB9A | |
| SCHEMBL22799395 | 0.80 | PDK2 (0.41) | PDK2AKR1A1AKR1B1SIGMAR1DRD2 | |
| SCHEMBL19147675 | 0.80 | PDK2 (0.58) | PDK2AKR1A1AKR1B1KDM4EMAPT | |
| SCHEMBL22797228 | 0.79 | PDK2 (0.51) | PARP1PDK2AKR1A1AKR1B1SIGMAR1 | |
| SCHEMBL22797608 | 0.79 | PDK2 (0.38) | PDK2AKR1A1AKR1B1SIGMAR1DRD2 |
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-2020248943-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2020-12-17 | — | — | WO | disclosed |