Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | LPL | P06858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23205873 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP2A6CA2CA1ALDH1A1 | |
| SCHEMBL29953402 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP2A6CA2CA1ALDH1A1 | |
| SCHEMBL29954404 | 0.78 | NQO2 (0.57) | CYP1A2CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL28504374 | 0.76 | CA1 (0.50) | CYP1A2CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL29958113 | 0.76 | CA1 (0.50) | CYP1A2CYP2A6CA2CA1ALDH1A1 | |
| SCHEMBL29957092 | 0.76 | CA1 (0.50) | CYP1A2CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL17395921 | 0.76 | CA1 (0.50) | CYP1A2CA2CA1ALDH1A1HSD17B10 | |
| SCHEMBL22409495 | 0.76 | CA2 (0.46) | CYP1A2CYP2A6CA2CA1ALDH1A1 | |
| SCHEMBL30121465 | 0.76 | CA2 (0.46) | CYP1A2CYP2A6CA2CA1ALDH1A1 | |
| SCHEMBL26002393 | 0.76 | CA1 (0.50) | CYP1A2CA2CA1ALDH1A1HSD17B10 |
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 |