Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27013059 | 0.91 | CYP1A2 (0.46) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL18820361 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL18819945 | 0.90 | ALDH1A1 (0.59) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL18820563 | 0.88 | ALOX5 (0.44) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL18820559 | 0.88 | ALOX5 (0.44) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL18820523 | 0.86 | ALOX5 (0.45) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL27013088 | 0.86 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL23819530 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL4549369 | 0.85 | ALOX5 (0.59) | ALDH1A1TSHRMAPK1HSD17B10HPGD | |
| SCHEMBL22707626 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1HSD17B10HPGD |
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-2017071791-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-05-04 | — | — | WO | disclosed |