Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL16951162 | 0.87 | AHR (0.57) | ALDH1A1PTGS2AHRCNR2ELANE | |
| SCHEMBL12501 | 0.84 | ALDH1A1 (0.73) | ALDH1A1PTGS2AHRACHECYP1A1 | |
| SCHEMBL8229999 | 0.82 | PTGS2 (0.65) | PTGS2GPR84CYP3A4CNR2ALOX5 | |
| SCHEMBL13095984 | 0.80 | AHR (0.46) | ALDH1A1AHRACHEELANETP53 | |
| SCHEMBL14461578 | 0.79 | ESR1 (0.52) | ALDH1A1AHRACHECYP1A1CYP1B1 | |
| SCHEMBL14848719 | 0.79 | AHR (0.58) | ALDH1A1PTGS2AHRCNR2CNR1 | |
| SCHEMBL21388518 | 0.79 | PLA2G2A (0.56) | ALDH1A1CNR2CNR1TP53ALOX15 | |
| SCHEMBL145855 | 0.79 | ALDH1A1 (0.62) | ALDH1A1ACHECYP1A1CYP1B1CYP3A4 | |
| SCHEMBL1171756 | 0.77 | PTGS2 (0.76) | ALDH1A1PTGS2GPR84CYP3A4CNR2 | |
| SCHEMBL28360552 | 0.77 | PLA2G2A (0.59) | ALDH1A1AHRCNR2CNR1TSHR |
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-110720456-B | Application of 3, 5-dimethoxytoluene | 西南林业大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-110720456-A | Application of 3, 5-dimethoxytoluene | 西南林业大学 | 2020-01-24 | — | — | CN | disclosed |