Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.64 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | JUN | P05412 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL26444780 | 0.87 | ABCG2 (0.50) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL290189 | 0.86 | ALDH1A1 (0.74) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL715946 | 0.86 | ALDH1A1 (0.74) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL1877390 | 0.82 | ABCG2 (0.68) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL1877387 | 0.82 | ABCG2 (0.68) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL18693777 | 0.81 | MAOA (0.44) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL18693774 | 0.81 | MAOA (0.44) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL1881669 | 0.81 | ABCG2 (0.66) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL5509902 | 0.81 | ABCG2 (0.66) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL1881666 | 0.81 | ABCG2 (0.66) | ABCG2MAOAALDH1A1SMN1; SMN2AURKA |
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-20230139056-A1 | METHODS, COMPOSITIONS AND REAGENTS FOR PREPARING COMPOUNDS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2023-05-04 | — | — | US | disclosed |