Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL79391 | 0.81 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1HSD17B10KDM4ENPC1 | |
| SCHEMBL79135 | 0.73 | BRD4 (0.43) | ALDH1A1L3MBTL1HSD17B10KDM4ENPC1 | |
| SCHEMBL22562268 | 0.72 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1HSD17B10KDM4ENPC1 | |
| SCHEMBL22298316 | 0.72 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1HSD17B10KDM4ENPC1 | |
| SCHEMBL20860342 | 0.70 | CYP3A4 (0.37) | ALDH1A1HSD17B10CYP3A4TDP1MEN1 | |
| SCHEMBL21118267 | 0.69 | MAOA (0.41) | ALDH1A1HSD17B10KDM4ENPC1CYP3A4 | |
| SCHEMBL20860412 | 0.68 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1HSD17B10KDM4ENPC1 | |
| SCHEMBL79791 | 0.66 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1HSD17B10KDM4ENPC1 | |
| SCHEMBL14101451 | 0.65 | — | — | |
| SCHEMBL2874924 | 0.65 | CES1 (0.43) | L3MBTL1TSHR |
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-3663308-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2021-07-14 | — | — | EP | disclosed |