Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL699462 | 0.87 | HSD17B3 (0.65) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL8900441 | 0.87 | HSD17B3 (0.65) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL709614 | 0.87 | HSD17B3 (0.65) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL699998 | 0.80 | HSD17B3 (0.59) | HSD17B3ALDH1A1BACE1MAPTCHRNA7 | |
| SCHEMBL699999 | 0.80 | HSD17B3 (0.59) | HSD17B3ALDH1A1BACE1MAPTCHRNA7 | |
| SCHEMBL8201004 | 0.79 | — | — | |
| SCHEMBL8900696 | 0.78 | HSD17B3 (0.57) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL699610 | 0.78 | HSD17B3 (0.57) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL699611 | 0.78 | HSD17B3 (0.57) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 | |
| SCHEMBL11464066 | 0.78 | HSD17B3 (0.61) | HSD17B3ALDH1A1SLC6A19BACE1HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3508472-B1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO LTD (KR) | 2021-10-20 | — | — | EP | disclosed |