Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | F11 | P03951 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29955720 | 0.85 | CYP1A2 (0.57) | CYP1A2CA2CA1ALDH1A1CYP2A6 | |
| SCHEMBL29955464 | 0.78 | CYP1A2 (0.55) | CYP1A2CA2CA1ALDH1A1CYP2A6 | |
| SCHEMBL29955900 | 0.78 | CA1 (0.55) | CYP1A2CA2CA1ENPP2KDM4E | |
| SCHEMBL23205873 | 0.78 | CYP1A2 (0.55) | CYP1A2CA2CA1ALDH1A1CYP2A6 | |
| SCHEMBL20600631 | 0.78 | CA1 (0.55) | CYP1A2CA2CA1ENPP2KDM4E | |
| SCHEMBL29957738 | 0.77 | CA1 (0.53) | CYP1A2CA2CA1ALDH1A1HPGD | |
| SCHEMBL29950935 | 0.77 | CA1 (0.53) | CYP1A2CA2CA1ALDH1A1CYP2A6 | |
| SCHEMBL24807948 | 0.77 | CA1 (0.53) | CYP1A2CA2CA1ALDH1A1CYP2A6 | |
| SCHEMBL5778117 | 0.77 | CA1 (0.53) | CA2CA1ALDH1A1ENPP2PLG | |
| SCHEMBL29951741 | 0.77 | CA1 (0.53) | CA2CA1ALDH1A1ENPP2PLG |
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 |