Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | SELL | P14151 | 1/20 | 0.41 |
| ▸ | SELP | P16109 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27669069 | 0.85 | HMGB1 (0.55) | CYP1A2ALDH1A1ALOX15KDM4EMAPT | |
| SCHEMBL4937360 | 0.81 | GABRP (0.39) | CYP1A2ALDH1A1KDM4ECYP3A4GABRP | |
| SCHEMBL18535914 | 0.80 | CASP6 (0.40) | CYP1A2ALDH1A1ALOX15KDM4EMAPT | |
| SCHEMBL22190013 | 0.80 | ALDH1A1 (0.46) | ALDH1A1ALOX15KDM4EMAPTGAA | |
| SCHEMBL20592284 | 0.78 | HMGB1 (0.53) | ALDH1A1ALOX15KDM4EHMGB1TSHR | |
| SCHEMBL1814763 | 0.77 | PRNP (0.46) | ALDH1A1ALOX15KDM4EHMGB1TSHR | |
| SCHEMBL28032623 | 0.77 | HTT (0.49) | ALDH1A1ALOX15KDM4EMAPTHMGB1 | |
| SCHEMBL17059404 | 0.77 | HMGB1 (0.47) | ALDH1A1ALOX15KDM4EHMGB1TSHR | |
| SCHEMBL2227278 | 0.77 | ALDH1A1 (0.55) | CYP1A2ALDH1A1ALOX15KDM4ECYP3A4 | |
| SCHEMBL4957822 | 0.75 | GABRP (0.35) | CYP1A2ALDH1A1KDM4EGABRPGABRD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110770230-B | Production of trimethylbenzene derivatives | 罗地亚经营管理公司 | 2024-03-26 | — | — | CN | claimed |
| CN-110770230-A | Production of trimethylbenzene derivatives | 罗地亚经营管理公司 | 2020-02-07 | — | — | CN | claimed |
| CN-110770230-B | Production of trimethylbenzene derivatives | 罗地亚经营管理公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-110770230-A | Production of trimethylbenzene derivatives | 罗地亚经营管理公司 | 2020-02-07 | — | — | CN | disclosed |