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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.70 |
| ▸ | PLAU | P00749 | 2/20 | 0.42 |
| ▸ | F12 | P00748 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 SCHEMBL27870095 | 0.90 | CYP2A6 (0.81) | CYP2A6PLAUF12NCF1NOS3 | |
| Sulfuric Acid SCHEMBL27870093 | 0.90 | CYP2A6 (0.81) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL70488 | 0.84 | CYP2A6 (1.00) | CYP2A6PLAUF12NCF1NOS3 | |
| Hydrochloric Acid SCHEMBL29827768 | 0.82 | CYP2A6 (0.95) | CYP2A6PLAUF12NCF1NOS3 | |
| Hydrochloric Acid SCHEMBL2830989 | 0.82 | CYP2A6 (0.95) | CYP2A6PLAUF12NCF1NOS3 | |
| Iodide SCHEMBL27536286 | 0.82 | CYP2A6 (0.95) | CYP2A6PLAUF12NCF1NOS3 | |
| Formic Acid SCHEMBL28681087 | 0.81 | CYP2A6 (0.78) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL28264878 | 0.80 | CYP2A6 (0.64) | CYP2A6CYP3A4TSHRCYP2C19ALDH1A1 | |
| SCHEMBL27891679 | 0.77 | CYP2A6 (0.84) | CYP2A6PLAUF12NCF1NOS3 | |
| SCHEMBL3659595 | 0.75 | MAPT (0.48) | RAB9AMAPTSMN1; SMN2KDM4ETDP1 |
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-109643817-A | Use of ionic liquids as adjuvants in electrochemistry | 雷恩第大学 | 2019-04-16 | — | — | CN | disclosed |