Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7563935 | 0.80 | NOS3 (0.51) | ALDH1A1GAAMAPTKDM4EKCNJ1 | |
| SCHEMBL5776978 | 0.80 | PLAU (0.43) | ALDH1A1GAAMAPTKDM4EKCNJ1 | |
| SCHEMBL5778347 | 0.77 | CYP1A2 (0.39) | ALDH1A1GAAMAPTKDM4EKCNJ1 | |
| SCHEMBL1009906 | 0.77 | MAOA (0.53) | ALDH1A1MAOAGAAMAPTKDM4E | |
| SCHEMBL29722629 | 0.74 | MAOA (0.41) | ALDH1A1MAOAGAAMAPTKDM4E | |
| SCHEMBL1009165 | 0.74 | MAOA (0.50) | ALDH1A1MAOAGAAMAPTKDM4E | |
| SCHEMBL30656741 | 0.74 | MAOA (0.50) | ALDH1A1MAOAGAAMAPTKDM4E | |
| SCHEMBL7993632 | 0.74 | MAOA (0.50) | ALDH1A1MAOAGAAMAPTKDM4E | |
| SCHEMBL1010472 | 0.74 | MAOA (0.50) | ALDH1A1MAOAGAAMAPTKDM4E | |
| SCHEMBL29405492 | 0.74 | MAOA (0.50) | ALDH1A1MAOAGAAMAPTKDM4E |
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 |