Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | BCR | P11274 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14643579 | 0.91 | ALDH1A1 (0.50) | ALOX5BACE1ALDH1A1CYP3A4MGLL | |
| SCHEMBL14492415 | 0.91 | ALDH1A1 (0.50) | ALOX5BACE1ALDH1A1CYP3A4MGLL | |
| SCHEMBL20319075 | 0.84 | MAOA (0.44) | MEN1ESR1KMT2AMAOAKMO | |
| SCHEMBL21389008 | 0.84 | ALDH1A1 (0.43) | MEN1ESR1KMT2AALOX5ALDH1A1 | |
| SCHEMBL31254135 | 0.80 | ALDH1A1 (0.64) | MEN1ESR1KMT2AMAOAKMO | |
| SCHEMBL29792069 | 0.80 | ALDH1A1 (0.64) | MEN1ESR1KMT2AMAOAKMO | |
| SCHEMBL22113250 | 0.80 | ALDH1A1 (0.64) | MEN1ESR1KMT2AMAOAKMO | |
| Tannin Pyrogallol SCHEMBL5014437 | 0.80 | ALDH1A1 (0.64) | MEN1ESR1KMT2AMAOAKMO | |
| SCHEMBL14643565 | 0.78 | ESR1 (0.55) | ESR1ALOX5ACMSDBACE1ALDH1A1 | |
| SCHEMBL14644808 | 0.78 | TRIM58 (0.38) | MEN1KMT2ABACE1ALDH1A1TRIM58 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013012296-A1 | NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2013-01-24 | — | — | WO | disclosed |