Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | BLM | P54132 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL397270 | 1.00 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT | |
| SCHEMBL2008325 | 0.88 | TAAR1 (0.45) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT | |
| SCHEMBL13030880 | 0.79 | CFTR (0.43) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT | |
| SCHEMBL16600588 | 0.79 | TAAR1 (0.50) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT | |
| SCHEMBL6873928 | 0.77 | TAAR1 (0.53) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT | |
| SCHEMBL7807450 | 0.77 | TAAR1 (0.53) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL7807700 | 0.75 | TAAR1 (0.52) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT | |
| SCHEMBL19199419 | 0.75 | ADORA2A (0.49) | ALDH1A1TAAR1HSD17B10MAPTADORA2A | |
| SCHEMBL22897894 | 0.75 | ADORA2A (0.49) | ALDH1A1TAAR1HSD17B10MAPTADORA2A | |
| SCHEMBL11398832 | 0.74 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1TAAR1HSD17B10MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111377827-B | Alpha-diimine ligand compound, complex and preparation method of polyolefin lubricating oil base oil | 辽宁奥克化学股份有限公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-110627721-B | Phenanthridine compound and synthesis method thereof | 陕西科技大学 | 2022-06-14 | — | — | CN | disclosed |