Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 6/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27882381 | 1.00 | TRPA1 (0.39) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL22972330 | 0.82 | TRPA1 (0.37) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL27102704 | 0.81 | TLR9 (0.36) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL21598409 | 0.80 | HPGD (0.40) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL21598410 | 0.80 | CCR4 (0.37) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL7851308 | 0.80 | AURKA (0.40) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL23624004 | 0.79 | CCR1 (0.38) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL19766655 | 0.79 | TRPA1 (0.33) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL22034054 | 0.77 | HPGD (0.37) | TRPA1CCR1CCR5CCR8CYP1A2 | |
| SCHEMBL18180520 | 0.77 | TRPA1 (0.35) | TRPA1CCR1CCR5CCR8CYP1A2 |
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-114349691-A | Synthetic method of 3, 4-difluoro-2-methoxy-pyridine | 阿里生物新材料（常州）有限公司 | 2022-04-15 | — | — | CN | claimed |
| CN-114349691-A | Synthetic method of 3, 4-difluoro-2-methoxy-pyridine | 阿里生物新材料（常州）有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-114349691-A | Synthetic method of 3, 4-difluoro-2-methoxy-pyridine | 阿里生物新材料（常州）有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-114349691-A | Synthetic method of 3, 4-difluoro-2-methoxy-pyridine | 阿里生物新材料（常州）有限公司 | 2022-04-15 | — | — | CN | disclosed |