Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27935835 | 0.81 | MEN1 (0.44) | GPR55CA12CA2CA3CA4 | |
| SCHEMBL104995 | 0.79 | AR (0.67) | CA12CA1CA2CA3CA4 | |
| SCHEMBL27922315 | 0.78 | POLB (0.58) | GPR55CA12CA1CA2CA3 | |
| SCHEMBL10884420 | 0.78 | POLB (0.58) | GPR55CA12CA1CA2CA3 | |
| Benzyl Alcohol SCHEMBL333772 | 0.78 | MAOB (0.48) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7544470 | 0.77 | HPGD (0.55) | CA12CA1CA2CA3CA4 | |
| SCHEMBL383681 | 0.77 | HPGD (0.55) | CA12CA1CA2CA3CA4 | |
| Ammonia Solution, Strong SCHEMBL6994460 | 0.76 | HPGD (0.53) | CA12CA1CA2CA3CA4 | |
| Dimethylamine SCHEMBL5140932 | 0.75 | HPGD (0.49) | CA12CA1CA2CA3CA4 | |
| SCHEMBL15842332 | 0.74 | PGR (0.43) | ARHSD17B3MAOBMAOAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-112313238-B | Tetrahydropyranoxazine derivatives with selective BACE1 inhibiting activity | 盐野义制药株式会社 | 2025-01-17 | — | — | CN | disclosed |