Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 14/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 13/20 | 0.43 |
| ▸ | PPARG | P37231 | 4/20 | 0.43 |
| ▸ | PPARD | Q03181 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16624693 | 0.80 | NR1H2 (0.59) | NR1H2NR1H3PPARGPPARDPPARA | |
| SCHEMBL16624627 | 0.78 | SMN1; SMN2 (0.55) | NR1H2NR1H3ALDH1A1HPGDHTT | |
| SCHEMBL16624697 | 0.72 | MAPT (0.53) | NR1H2PPARGALDH1A1HPGDHTT | |
| SCHEMBL16624694 | 0.71 | NR1H2 (0.52) | NR1H2NR1H3PPARGPPARDPPARA | |
| SCHEMBL16624688 | 0.71 | ALDH1A1 (0.50) | ALDH1A1HPGDHTTCYP1A2CYP3A4 | |
| SCHEMBL17955245 | 0.70 | NR1H2 (0.51) | NR1H2NR1H3PPARGPPARDPPARA | |
| SCHEMBL27971255 | 0.69 | KDM4E (0.48) | ALDH1A1HPGDHTTNPSR1SMN1; SMN2 | |
| SCHEMBL16624731 | 0.69 | NR1H2 (0.44) | NR1H2NR1H3PPARGPPARDPPARA | |
| SCHEMBL20216017 | 0.68 | NR1H2 (0.49) | NR1H2NR1H3PPARGPPARDPPARA | |
| SCHEMBL17954340 | 0.68 | NR1H2 (0.49) | NR1H2NR1H3PPARGPPARDPPARA |
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 |