Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3631805 | 0.83 | NCF1 (0.41) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL8405355 | 0.82 | LTA4H (0.50) | LTA4HTSHRTP53CYP3A4ALDH1A1 | |
| SCHEMBL3316169 | 0.80 | NQO1 (0.48) | NQO1LTA4HTSHRTDP1TP53 | |
| SCHEMBL29952345 | 0.80 | NQO1 (0.48) | NQO1LTA4HTSHRTDP1TP53 | |
| SCHEMBL204912 | 0.80 | PTPN1 (0.38) | HSD17B10HPGD | |
| SCHEMBL15872825 | 0.78 | NQO1 (0.39) | NQO1LTA4HTSHRTDP1TP53 | |
| SCHEMBL16532784 | 0.77 | MAPK1 (0.37) | LTA4HTSHRTDP1TP53KDM4E | |
| SCHEMBL407849 | 0.76 | CYP1A2 (0.55) | TDP1MEN1KMT2AMAPTPTGS2 | |
| SCHEMBL5079355 | 0.76 | ESR1 (0.46) | NQO1LTA4HTSHRTDP1TP53 | |
| SCHEMBL1326006 | 0.76 | ENPP2 (0.48) | LTA4HTSHRCYP3A4KDM4EALDH1A1 |
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 |