Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27314463 | 0.87 | GABRA1 (0.39) | GABRA1GABRB2APLNRHSD17B1CYP11B2 | |
| SCHEMBL8170002 | 0.82 | GABRA1 (0.54) | GABRA1GABRB2APLNRHSD17B1CYP11B2 | |
| SCHEMBL875313 | 0.82 | TAS2R14 (0.38) | APLNRCYP11B2CYP11B1ALDH1A1CYP19A1 | |
| SCHEMBL13885073 | 0.78 | APLNR (0.35) | GABRA1GABRB2APLNRHSD17B1POLB | |
| SCHEMBL19366826 | 0.77 | GABRA1 (0.37) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL24680657 | 0.76 | HCAR2 (0.38) | CYP11B2CYP11B1CYP19A1AR | |
| SCHEMBL30879971 | 0.76 | HCAR2 (0.38) | CYP11B2CYP11B1CYP19A1AR | |
| SCHEMBL21958802 | 0.76 | HCAR2 (0.38) | CYP11B2CYP11B1CYP19A1CYP2C9CYP3A4 | |
| SCHEMBL20458840 | 0.75 | GABRA1 (0.37) | GABRA1GABRB2APLNRHSD17B1POLB | |
| SCHEMBL24534066 | 0.74 | KDM4E (0.36) | CYP11B2CYP11B1ALDH1A1LMNATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024091542-A1 | COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-05-02 | — | — | WO | disclosed |
| WO-2024091542-A1 | COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-05-02 | — | — | WO | disclosed |