Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.40 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1859259 | 1.00 | CYP2A6 (0.44) | CYP2A6RAD51EGLN2ABCC9ABCC8 | |
| SCHEMBL7398707 | 0.85 | TSHR (0.40) | CYP2A6RAD51MEN1KMT2A | |
| SCHEMBL13913074 | 0.84 | RAD51 (0.39) | CYP2A6RAD51ABCC9ABCC8KCNJ11 | |
| SCHEMBL7887017 | 0.81 | HPGD (0.40) | CYP2A6RAD51EGLN2ABCC9ABCC8 | |
| SCHEMBL7887020 | 0.81 | HPGD (0.40) | CYP2A6RAD51EGLN2ABCC9ABCC8 | |
| SCHEMBL24025456 | 0.79 | SRC (0.35) | RAD51ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL13824727 | 0.78 | CYP2A6 (0.52) | CYP2A6EGLN2ABCC9ABCC8KCNJ11 | |
| SCHEMBL2463003 | 0.77 | DYRK1A (0.38) | CYP2A6RAD51EGLN2ABCC9ABCC8 | |
| SCHEMBL11306935 | 0.77 | EGFR (0.41) | RAD51ALDH1A1KDM4EMEN1GAA | |
| SCHEMBL2460307 | 0.77 | ALDH1A1 (0.43) | CYP2A6RAD51ALDH1A1CA1CA2 |
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 |