Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 3/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.38 |
| ▸ | TMPRSS4 | Q9NRS4 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27816993 | 0.85 | GPR35 (0.42) | CES2GPR35P2RX1P2RX4P2RX7 | |
| SCHEMBL42960 | 0.85 | DDR1 (0.44) | CES2GPR35P2RX1P2RX4P2RX7 | |
| SCHEMBL27835356 | 0.85 | AKR1C4 (0.41) | P2RX1P2RX4P2RX7TMPRSS4ALDH1A1 | |
| SCHEMBL28267152 | 0.83 | ALOX15 (0.36) | CES2GPR35P2RX1P2RX4P2RX7 | |
| SCHEMBL27853403 | 0.81 | CES2 (0.38) | CES2GPR35P2RX1P2RX4P2RX7 | |
| SCHEMBL11625854 | 0.81 | P2RX1 (0.39) | CES2GPR35P2RX1P2RX4P2RX7 | |
| SCHEMBL27835384 | 0.81 | CES2 (0.38) | CES2GPR35P2RX1P2RX4P2RX7 | |
| SCHEMBL27835341 | 0.79 | CES2 (0.36) | CES2GPR35P2RX1P2RX4P2RX7 | |
| SCHEMBL15850522 | 0.79 | PDE2A (0.41) | CES2GPR35ALDH1A1HPGDPDE2A | |
| SCHEMBL8561329 | 0.78 | ALDH1A1 (0.46) | CES2GPR35P2RX1P2RX4P2RX7 |
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-107892689-A | One kind cyclisation berberinc derivate and its production and use | 中国医学科学院医药生物技术研究所 | 2018-04-10 | — | — | CN | disclosed |