Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14418022 | 0.69 | MAPK1 (0.31) | ALDH1A1 | |
| SCHEMBL78463 | 0.66 | ACHE (0.40) | ALDH1A1L3MBTL1NOS3NOS2ACHE | |
| SCHEMBL8786691 | 0.63 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1NOS2HSD17B10MEN1 | |
| Methyl Alcohol SCHEMBL28248582 | 0.60 | ALDH1A1 (0.81) | ALDH1A1L3MBTL1HSD17B10MEN1GAA | |
| SCHEMBL22562268 | 0.59 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1NOS3NOS2HSD17B10 | |
| SCHEMBL5952877 | 0.59 | ACHE (0.60) | ALDH1A1L3MBTL1ACHEHSD17B10MEN1 | |
| SCHEMBL23105552 | 0.58 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1S1PR1HSD17B10MEN1 | |
| SCHEMBL25052987 | 0.58 | — | — | |
| SCHEMBL24084843 | 0.57 | — | — | |
| SCHEMBL27470486 | 0.57 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1S1PR1HSD17B10MEN1 |
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-4016656-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2022-06-22 | — | — | EP | disclosed |