Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20933679 | 1.00 | SLC6A3 (0.51) | SLC6A3SLC6A4TRPA1ALOX5HSD17B3 | |
| SCHEMBL20934245 | 0.89 | ALOX5 (0.52) | SLC6A3SLC6A4TRPA1ALOX5SLC6A2 | |
| SCHEMBL20934474 | 0.84 | SLC6A3 (0.50) | SLC6A3SLC6A4TRPA1ALOX5AHR | |
| SCHEMBL20934267 | 0.83 | SLC6A3 (0.49) | SLC6A3SLC6A4TRPA1ALOX5AHR | |
| SCHEMBL19058193 | 0.79 | SLC6A3 (0.55) | SLC6A3SLC6A4ALOX5HSD17B3ABL1 | |
| SCHEMBL16724065 | 0.78 | PDK2 (0.42) | SLC6A3SLC6A4TRPA1ALOX5HSD17B3 | |
| SCHEMBL19058260 | 0.78 | SLC6A3 (0.56) | SLC6A3SLC6A4ALOX5HSD17B3ABL1 | |
| SCHEMBL16724062 | 0.77 | SLC6A4 (0.43) | SLC6A3SLC6A4TRPA1ALOX5ABL1 | |
| SCHEMBL16724069 | 0.76 | SLC6A3 (0.42) | SLC6A3SLC6A4TRPA1ALOX5ABL1 | |
| SCHEMBL20933642 | 0.74 | AHR (0.44) | SLC6A3SLC6A4AHRSLC6A2 |
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-2019078461-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |