Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24744961 | 0.99 | TYMS (0.33) | TYMSMLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL24744645 | 0.97 | TYMS (0.32) | TYMS | |
| SCHEMBL24744977 | 0.96 | TYMS (0.33) | TYMSMLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL24744962 | 0.96 | TYMS (0.33) | TYMSMLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL24744972 | 0.96 | TYMS (0.33) | TYMSMLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL24744963 | 0.94 | PDK2 (0.34) | TYMSPDK2 | |
| SCHEMBL24744112 | 0.94 | PDK2 (0.33) | TYMSPDK2 | |
| SCHEMBL24744965 | 0.93 | PDK2 (0.34) | PDK2 | |
| SCHEMBL24744188 | 0.92 | PDK2 (0.34) | TYMSPDK2 | |
| SCHEMBL24744973 | 0.91 | PDK2 (0.33) | TYMSPDK2 |
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-2022260240-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2022-12-15 | — | — | WO | disclosed |