Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28670154 | 0.84 | CYP1A2 (0.45) | CYP1A2PDE10AHDAC1HDAC2CYSLTR1 | |
| SCHEMBL6798820 | 0.80 | CYSLTR2 (0.53) | CYP1A2PDE10ACYSLTR1CYSLTR2CYP3A4 | |
| SCHEMBL17490958 | 0.79 | KCNH2 (0.47) | — | |
| Sulfuric Acid SCHEMBL28294778 | 0.79 | CYP1A2 (0.50) | CYP1A2PDE10ACYSLTR1CYSLTR2GPBAR1 | |
| SCHEMBL2334595 | 0.79 | CYSLTR2 (0.52) | CYP1A2PDE10AHDAC1HDAC2CYSLTR1 | |
| SCHEMBL4376467 | 0.78 | CYP1A2 (0.51) | CYP1A2PDE10AHDAC1HDAC2CYSLTR1 | |
| SCHEMBL8904769 | 0.78 | PDE10A (0.48) | CYP1A2PDE10AHDAC1HDAC2CYSLTR1 | |
| SCHEMBL898777 | 0.78 | PDE10A (0.47) | CYP1A2PDE10AHDAC1HDAC2CYSLTR1 | |
| SCHEMBL1273221 | 0.77 | PDE10A (0.44) | CYP1A2PDE10ACYSLTR1CYSLTR2GPBAR1 | |
| Ammonia Solution, Strong SCHEMBL28409297 | 0.77 | KCNH2 (0.55) | CYP1A2PDE10ACYSLTR1CYSLTR2GPBAR1 |
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-112570022-B | Magnetic substance immobilized organic-inorganic hybrid material catalyst and preparation and application thereof | 浙江工商大学 | 2022-09-20 | — | — | CN | disclosed |