Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL67004 | 0.97 | CYP2A6 (0.57) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL23714869 | 0.97 | CYP2A6 (0.57) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL22502466 | 0.93 | CYP2A6 (0.53) | CYP2A6CA2CA1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL1034657 | 0.90 | CYP2A6 (0.50) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL12781545 | 0.88 | ALDH1A1 (0.52) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL3794654 | 0.88 | ALDH1A1 (0.52) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL24576 | 0.85 | ALDH1A1 (0.56) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL7033150 | 0.85 | ALDH1A1 (0.56) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL460304 | 0.85 | ALDH1A1 (0.56) | CYP2A6CA2CA1TSHRALDH1A1 | |
| SCHEMBL15687666 | 0.85 | ALDH1A1 (0.56) | CYP2A6CA2CA1TSHRALDH1A1 |
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-119409944-A | Method for storing and delivering electron special gas by adopting fluorine-containing porous organic polymer | 浙江大学 | 2025-02-11 | — | — | CN | disclosed |