Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4721789 | 0.95 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL16930818 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL2951873 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HIF1AHPGDTSHR | |
| SCHEMBL30125497 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HIF1AHPGDTSHR | |
| SCHEMBL2213062 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL1974253 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL27885186 | 0.77 | HPRT1 (0.52) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD | |
| SCHEMBL27822757 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1AHPGDTSHR | |
| SCHEMBL17512890 | 0.77 | KMT2A (0.50) | ALDH1A1HSD17B10HPGDCYP1A2TSHR | |
| SCHEMBL12728057 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HIF1ACYP1B1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-112601753-A | Fluorine substituted polycyclic aromatic compound | 学校法人关西学院 | 2021-04-02 | — | — | CN | disclosed |