Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20860414 | 0.74 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1HSD17B10GAAKDM4E | |
| SCHEMBL22298316 | 0.73 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1HSD17B10GAAKDM4E | |
| SCHEMBL23766466 | 0.72 | CYP3A4 (0.34) | ALDH1A1HSD17B10CYP3A4TDP1 | |
| SCHEMBL21698480 | 0.71 | ALDH1A1 (0.41) | ALDH1A1HSD17B10KDM4ENPC1CYP3A4 | |
| SCHEMBL22562268 | 0.70 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1HSD17B10GAAKDM4E | |
| SCHEMBL20860413 | 0.68 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1HSD17B10GAAKDM4E | |
| SCHEMBL22780700 | 0.68 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1HSD17B10GAAKDM4E | |
| SCHEMBL20629280 | 0.68 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1HSD17B10GAAKDM4E | |
| SCHEMBL21782896 | 0.68 | — | — | |
| SCHEMBL21650444 | 0.67 | NOS1 (0.33) | HSD17B10CYP3A4TDP1NOS2 |
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-3461830-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2021-01-20 | — | — | EP | disclosed |