Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL69925 | 0.84 | TDP1 (0.52) | CA2TDP1ALOX15CA1ALOX12 | |
| SCHEMBL29403778 | 0.84 | TDP1 (0.52) | CA2TDP1ALOX15CA1ALOX12 | |
| SCHEMBL127769 | 0.84 | CA2 (0.55) | CA2CA4TPMTALOX15CA1 | |
| SCHEMBL2171111 | 0.84 | ALOX15 (0.52) | CA2CA4TPMTTDP1ALOX15 | |
| SCHEMBL2588846 | 0.84 | TPMT (0.40) | CA2CA4TPMTTDP1ALOX15 | |
| SCHEMBL2589018 | 0.82 | BACE1 (0.35) | CA2TPMTTDP1ALOX15CA1 | |
| SCHEMBL12663229 | 0.82 | TPMT (0.39) | CA2CA4TPMTTDP1ALOX15 | |
| SCHEMBL22208495 | 0.80 | ALOX5AP (0.45) | CA2CA4TPMTTDP1ALOX15 | |
| SCHEMBL31085196 | 0.80 | ALOX5AP (0.38) | CA2CA4TPMTTDP1ALOX15 | |
| SCHEMBL30973506 | 0.79 | CA2 (0.52) | CA2CA4TPMTTDP1ALOX15 |
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-105777529-B | A kind of method of neighbour's trimethoxy benzene-like compounds selectivity demethylation reaction | 遵义师范学院 | 2019-04-09 | — | — | CN | disclosed |