Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21480791 | 0.86 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2A6GPR3 | |
| SCHEMBL28492019 | 0.84 | GPR3 (0.46) | CYP1A2CYP2C19CYP2C9CYP2A6GPR3 | |
| SCHEMBL8817717 | 0.81 | HDAC4 (0.59) | CYP1A2CYP2C19CYP2C9CYP2A6GAA | |
| SCHEMBL5612549 | 0.80 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP2C9CYP2A6GPR3 | |
| SCHEMBL29083062 | 0.80 | GAA (0.52) | CYP1A2CYP2C19CYP2C9GAAPDK2 | |
| SCHEMBL28762102 | 0.79 | BACE1 (0.50) | CYP1A2CYP2C19CYP2C9CYP2A6ABL1 | |
| SCHEMBL8819682 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9CYP2A6GPR3 | |
| SCHEMBL1528920 | 0.76 | CD274 (0.48) | CYP1A2CYP2C19CYP2C9CYP2A6GPR3 | |
| SCHEMBL672015 | 0.76 | CA12 (0.46) | CYP1A2CYP2A6GAAMEN1KMT2A | |
| SCHEMBL2911817 | 0.76 | CA12 (0.46) | CYP1A2CYP2A6GAAMEN1KMT2A |
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-108102103-B | Preparation method and application of micromolecular phosphate additive | 江苏苏博特新材料股份有限公司 | 2020-12-29 | — | — | CN | disclosed |