Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.43 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL358973 | 0.82 | ALDH1A1 (0.59) | ALDH1A1PTGS1TDP1ADRA2BCA12 | |
| SCHEMBL28225368 | 0.80 | CD44 (0.45) | ALDH1A1TDP1TLR2ERN1TLR1 | |
| SCHEMBL2865123 | 0.79 | CD44 (0.38) | ALDH1A1PTGS1TDP1ADRA2BMAPT | |
| SCHEMBL97371 | 0.79 | CA1 (0.62) | ALDH1A1PTGS1TDP1ADRA2BTLR2 | |
| Nitrogen SCHEMBL27853237 | 0.78 | ALDH1A1 (0.54) | ALDH1A1PTGS1TDP1ADRA2BCA12 | |
| SCHEMBL10212397 | 0.78 | — | — | |
| SCHEMBL14579653 | 0.78 | TLR2 (0.44) | ALDH1A1TLR2ERN1TLR1TLR6 | |
| SCHEMBL2094874 | 0.78 | NFE2L2 (0.47) | ALDH1A1TLR2ERN1TLR1TLR6 | |
| SCHEMBL2094352 | 0.77 | SMN1; SMN2 (0.48) | ALDH1A1TLR2ERN1TLR1TLR6 | |
| SCHEMBL3437822 | 0.76 | CYP2A6 (0.30) | — |
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-105693609-B | Polysubstituted phenyl alkylamino acridone -4- amides compound and its preparation method and application | 清华大学深圳研究生院 | 2019-03-05 | — | — | CN | disclosed |