Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL438800 | 0.82 | ALDH1A1 (0.41) | HSPB1TRPA1ALDH1A1IDO1AGXT | |
| SCHEMBL27994070 | 0.81 | NFE2L2 (0.34) | ALDH1A1MEN1HPGDKMT2AL3MBTL1 | |
| SCHEMBL9545003 | 0.75 | HSPB1 (0.39) | POLBTSHRMAPK1HSPB1TRPA1 | |
| SCHEMBL28051736 | 0.71 | NFE2L2 (0.38) | MAPK1HPGDNFE2L2 | |
| SCHEMBL12157430 | 0.71 | TRPA1 (0.39) | HSPB1TRPA1ALDH1A1 | |
| SCHEMBL333943 | 0.70 | CA3 (0.41) | HSPB1TRPA1ALDH1A1NFE2L2IDO1 | |
| SCHEMBL1547178 | 0.68 | CES2 (0.43) | HSPB1TRPA1ALDH1A1IDO1AGXT | |
| SCHEMBL28354817 | 0.67 | POLB (0.37) | POLBTSHRMAPK1HSPB1ALDH1A1 | |
| SCHEMBL10456772 | 0.67 | TRPA1 (0.56) | HSPB1TRPA1ALDH1A1 | |
| SCHEMBL28321168 | 0.67 | RXRA (0.38) | L3MBTL1 |
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-104334525-B | catechol O-methyltransferase activity inhibiting compounds | 奥赖恩公司 | 2017-05-10 | — | — | CN | disclosed |