Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.57 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NCF1 | P14598 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3267444 | 1.00 | CYSLTR1 (0.57) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 | |
| SCHEMBL4938792 | 0.98 | CYSLTR1 (0.55) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 | |
| SCHEMBL26911035 | 0.89 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 | |
| SCHEMBL3253637 | 0.87 | CYSLTR1 (0.55) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 | |
| SCHEMBL1568267 | 0.86 | SMN1; SMN2 (0.57) | CYSLTR1CYSLTR2LMNACYP1A2PDE10A | |
| SCHEMBL2913941 | 0.85 | PDE10A (0.61) | CYSLTR1CYSLTR2NCF1CYP1A2NOS2 | |
| SCHEMBL29035750 | 0.85 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 | |
| Hydrochloric Acid SCHEMBL27514003 | 0.85 | CYSLTR1 (0.53) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 | |
| SCHEMBL21499258 | 0.84 | CYP1A2 (0.50) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 | |
| SCHEMBL7972071 | 0.84 | CYSLTR1 (0.45) | CYSLTR1CYSLTR2LMNANCF1CYP1A2 |
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-113773244-B | Method for removing ketone fragment in nitrogen heterocyclic compound substituent | 复旦大学 | 2024-03-22 | — | — | CN | disclosed |