Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL25613394 | 0.80 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1HTTKDM4EMEN1 | |
| SCHEMBL22643654 | 0.72 | NPSR1 (0.38) | ALDH1A1HPGDL3MBTL1MAPTHTT | |
| SCHEMBL22814367 | 0.70 | — | — | |
| SCHEMBL25733615 | 0.70 | ALDH1A1 (0.36) | ALDH1A1CYP3A4HPGDL3MBTL1MAPT | |
| SCHEMBL26442696 | 0.68 | ALDH1A1 (0.40) | ALDH1A1CYP3A4HSD17B10HPGDL3MBTL1 | |
| SCHEMBL1655743 | 0.67 | ALDH1A1 (0.73) | ALDH1A1CYP3A4HSD17B10HPGDL3MBTL1 | |
| SCHEMBL19427200 | 0.66 | PTGIR (0.33) | ALDH1A1CYP3A4HSD17B10HPGDCYP2C9 | |
| SCHEMBL13709429 | 0.66 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1HTTMEN1LMNA | |
| SCHEMBL17246801 | 0.65 | CYP3A4 (0.33) | ALDH1A1CYP3A4HSD17B10HPGDCYP2C9 | |
| SCHEMBL23099984 | 0.64 | MEN1 (0.40) | ALDH1A1CYP3A4HSD17B10L3MBTL1CYP1A2 |
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-2332931-A2 | NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME | LG Chem, Ltd. (KR) | 2011-06-15 | — | — | EP | disclosed |