Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2487394 | 1.00 | CA2 (0.48) | CA2CA1CYP19A1MAOBAHR | |
| SCHEMBL7434309 | 0.93 | CA2 (0.48) | CA2CA1CYP19A1MAOBAHR | |
| SCHEMBL7437647 | 0.81 | CA2 (0.44) | CA2CA1AHRFFAR1 | |
| SCHEMBL7437340 | 0.80 | CA2 (0.42) | CA2CYP19A1MAOBNPC1 | |
| SCHEMBL1299611 | 0.77 | NISCH (0.44) | CA2NPC1L3MBTL1HTT | |
| SCHEMBL1299583 | 0.77 | NISCH (0.44) | CA2NPC1L3MBTL1HTT | |
| SCHEMBL1299584 | 0.77 | NISCH (0.44) | CA2NPC1L3MBTL1HTT | |
| SCHEMBL7434681 | 0.76 | HCRTR2 (0.36) | MAOBNPC1HCRTR2 | |
| SCHEMBL7445863 | 0.76 | MTNR1A (0.44) | CYP19A1MAOBFFAR1NPC1 | |
| SCHEMBL27289521 | 0.76 | ALDH1A1 (0.54) | NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |
| US-4499100-A | CARDIOUVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1985-02-12 | — | — | US | disclosed |