Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | PPARA | Q07869 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18002451 | 0.86 | CHRM2 (0.47) | EPHX2PPARAALDH1A1CHRM5GRM2 | |
| SCHEMBL18002488 | 0.83 | ALDH1A1 (0.44) | EPHX2PPARAALDH1A1MAPT | |
| SCHEMBL1609235 | 0.80 | ALDH1A1 (0.60) | ALDH1A1MAPT | |
| SCHEMBL17894535 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CHRM5MAPT | |
| SCHEMBL18002411 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRMAPT | |
| SCHEMBL1609109 | 0.79 | HDAC1 (0.56) | EPHX2PPARAKLKB1TEAD1 | |
| SCHEMBL1609113 | 0.79 | HDAC1 (0.56) | EPHX2PPARAKLKB1TEAD1 | |
| SCHEMBL28469757 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPT | |
| SCHEMBL8136208 | 0.79 | CYP11B1 (0.58) | PPARAALDH1A1TSHRCHRM5TEAD1 | |
| SCHEMBL2056309 | 0.79 | ALDH1A1 (0.50) | EPHX2PPARAALDH1A1TSHRCHRM5 |
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-108358923-B | Sophoridine pyrrole and indole derivatives, and preparation method and application thereof | 广西大学 | 2020-11-03 | — | — | CN | claimed |
| CN-108047226-B | Matrine pyrrole and indole derivatives, and preparation method and application thereof | 广西大学 | 2020-11-03 | — | — | CN | claimed |