Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 10/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9955519 | 0.87 | HTR1A (0.43) | HTR1AHTR7MCL1DHFRGRM5 | |
| SCHEMBL16066861 | 0.86 | HTR1A (0.40) | HTR1AHTR7MCL1DHFRGRM5 | |
| SCHEMBL17248291 | 0.84 | HTR1A (0.49) | HTR1AHTR7DHFRGRM5 | |
| SCHEMBL23332313 | 0.84 | MEN1 (0.37) | — | |
| SCHEMBL17033552 | 0.84 | HTR1A (0.41) | HTR1AHTR7MCL1DHFRGRM5 | |
| SCHEMBL3133195 | 0.84 | HTR1A (0.54) | HTR1AHTR7MCL1DHFRGRM5 | |
| SCHEMBL17033792 | 0.83 | HTR1A (0.42) | HTR1AHTR7DHFRGRM5 | |
| SCHEMBL17033417 | 0.83 | HTR1A (0.42) | HTR1AHTR7MCL1DHFRGRM5 | |
| SCHEMBL23332466 | 0.82 | HSD17B1 (0.38) | — | |
| SCHEMBL17206523 | 0.82 | HTR1A (0.45) | HTR1AHTR7MCL1DHFRGRM5 |
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-2017105040-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-06-22 | — | — | WO | disclosed |