Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL16624699 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HPGDHTTNPSR1MAPT | |
| SCHEMBL16624739 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HPGDHTTNPSR1MAPT | |
| SCHEMBL16624697 | 0.74 | MAPT (0.53) | ALDH1A1HPGDHTTNR1H2MAPT | |
| SCHEMBL20216017 | 0.74 | NR1H2 (0.49) | ALDH1A1HTTNR1H2NR1H3MAPT | |
| SCHEMBL16624694 | 0.73 | NR1H2 (0.52) | ALDH1A1HPGDNR1H2NR1H3MAPT | |
| SCHEMBL21610297 | 0.73 | MAPK1 (0.34) | NR1H2NR1H3TACR3CYP2D6TP53 | |
| SCHEMBL16624709 | 0.72 | ALDH1A1 (0.39) | ALDH1A1HPGDHTTNPSR1NR1H2 | |
| SCHEMBL23365635 | 0.71 | MAOB (0.47) | ALDH1A1HPGDNR1H2NR1H3MAPT | |
| SCHEMBL21610292 | 0.70 | ALDH1A1 (0.49) | ALDH1A1HPGDHTTNPSR1NR1H2 | |
| SCHEMBL21455771 | 0.68 | CYP19A1 (0.54) | CYP19A1ALDH1A1HTTMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3052107-B1 | ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS | NOVARTIS AG (CH) | 2018-05-02 | — | — | EP | disclosed |