Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | IDE | P14735 | 1/20 | 0.40 |
| ▸ | UBE2N | P61088 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATP4A | P20648 | 2/20 | 0.36 |
| ▸ | ATP4B | P51164 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24732688 | 1.00 | LMNA (0.41) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL24732837 | 0.85 | LMNA (0.42) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL29756149 | 0.85 | LMNA (0.42) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL28802651 | 0.84 | USP2 (0.38) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL24733060 | 0.83 | TLR7 (0.40) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL29809070 | 0.83 | TLR7 (0.40) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL28393827 | 0.82 | LMNA (0.40) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL27213633 | 0.82 | USP2 (0.38) | LMNAUSP2CYP1A2CYP2D6TSHR | |
| SCHEMBL21922361 | 0.81 | CYP3A4 (0.47) | CYP2D6TSHRTLR7CYP3A4 | |
| SCHEMBL28802743 | 0.78 | USP2 (0.37) | LMNAUSP2CYP1A2CYP2D6TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117736210-A | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |