Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL29958956 | 0.95 | NR1H2 (0.69) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL274890 | 0.95 | NR1H2 (0.69) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL24192814 | 0.89 | NR1H2 (0.58) | NR1H2ALDH1A1KDM4EDDR1 | |
| SCHEMBL27088110 | 0.86 | NR1H2 (0.64) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL24191963 | 0.85 | NR1H2 (0.66) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL4933173 | 0.83 | NR1H2 (0.76) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL545052 | 0.83 | NR1H2 (0.76) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL15688033 | 0.83 | NR1H2 (0.60) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL29998843 | 0.82 | NR1H2 (0.74) | NR1H2ALDH1A1KDM4EATMPOLB | |
| SCHEMBL3166705 | 0.82 | NR1H2 (0.74) | NR1H2ALDH1A1KDM4EATMPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022008383-A1 | ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-01-13 | — | — | WO | disclosed |