Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18088907 | 0.89 | HTR3A (0.31) | — | |
| SCHEMBL22476135 | 0.86 | KDM4E (0.33) | — | |
| SCHEMBL20356450 | 0.81 | KDM4E (0.37) | — | |
| SCHEMBL14580818 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HPGDHSD17B10DHFR | |
| SCHEMBL18516338 | 0.81 | KDM4E (0.43) | — | |
| SCHEMBL25535540 | 0.80 | PTGDR2 (0.32) | — | |
| SCHEMBL30567038 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL26110989 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HPGDHSD17B10 | |
| SCHEMBL23228102 | 0.78 | KDM4E (0.43) | — | |
| SCHEMBL14580814 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HPGDHSD17B10DHFR |
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-2022045743-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2022-03-03 | — | — | WO | disclosed |