Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3794620 | 0.86 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL31607687 | 0.84 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL3789931 | 0.84 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL27348028 | 0.82 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL6637111 | 0.79 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| Hydrogen Peroxide SCHEMBL27754270 | 0.78 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL7775604 | 0.78 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL18550677 | 0.78 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL6573071 | 0.78 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1CYP3A4KDM4E | |
| SCHEMBL30448595 | 0.78 | RAPGEF4 (0.43) | ALDH1A1TDP1KDM4EGAAHSD17B10 |
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-3750901-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2020-12-16 | — | — | EP | disclosed |