Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL638497 | 0.86 | POLB (0.42) | BBOX1POLBBCHEACHERECQL | |
| SCHEMBL27990235 | 0.86 | BBOX1 (0.50) | BBOX1POLBRECQLTSHRMAPK1 | |
| SCHEMBL14742763 | 0.86 | BBOX1 (0.61) | BBOX1POLBRECQLTSHRMAPK1 | |
| SCHEMBL350615 | 0.84 | POLB (0.37) | BBOX1POLBBCHEACHERECQL | |
| Sulfuric Acid SCHEMBL27503627 | 0.83 | BBOX1 (0.54) | BBOX1MAPK1LMNACYP3A4CYP2D6 | |
| SCHEMBL3204994 | 0.82 | POLB (0.36) | BBOX1POLBBCHEACHERECQL | |
| Tetrylammonium SCHEMBL5916499 | 0.81 | TSHR (0.44) | BBOX1POLBBCHEACHERECQL | |
| Sulfuric Acid SCHEMBL7640837 | 0.80 | BBOX1 (0.52) | BBOX1MAPK1LMNACYP3A4CYP2D6 | |
| Sulfuric Acid SCHEMBL19811286 | 0.80 | BBOX1 (0.52) | BBOX1MAPK1LMNACYP3A4CYP2D6 | |
| SCHEMBL1293549 | 0.80 | BBOX1 (0.52) | BBOX1MAPK1LMNACYP3A4CYP2D6 |
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-111101145-A | Method for preparing aromatic halide and aldehyde substance simultaneously by paired electrodes | 万华化学集团股份有限公司 | 2020-05-05 | — | — | CN | claimed |
| CN-111101145-B | Method for preparing aromatic halide and aldehyde substance simultaneously by paired electrodes | 万华化学集团股份有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-111101145-A | Method for preparing aromatic halide and aldehyde substance simultaneously by paired electrodes | 万华化学集团股份有限公司 | 2020-05-05 | — | — | CN | disclosed |