Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15369531 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1MAPTENPP2 | |
| SCHEMBL29595177 | 0.87 | MAPT (0.44) | CYP1A2CYP2A6MAPTENPP2CA7 | |
| SCHEMBL2399704 | 0.87 | MAPT (0.44) | CYP1A2CYP2A6MAPTENPP2CA7 | |
| SCHEMBL57033 | 0.86 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1MAPTENPP2 | |
| SCHEMBL29404739 | 0.86 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1MAPTENPP2 | |
| SCHEMBL29463284 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL424167 | 0.79 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1427222 | 0.76 | MAPT (0.50) | CYP1A2ALDH1A1MAPTENPP2CA1 | |
| SCHEMBL29875461 | 0.76 | MAPT (0.50) | CYP1A2ALDH1A1MAPTENPP2CA1 | |
| SCHEMBL29954360 | 0.76 | IDO1 (0.48) | CYP1A2ALDH1A1MAPTHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |