Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7436292 | 0.93 | CA2 (0.48) | CA2CYP19A1NPC1RAB9AKMT2A | |
| SCHEMBL2487394 | 0.80 | CA2 (0.48) | CA2CYP19A1NPC1MAOB | |
| SCHEMBL7443159 | 0.80 | CA2 (0.48) | CA2CYP19A1NPC1MAOB | |
| SCHEMBL7434681 | 0.80 | HCRTR2 (0.36) | NPC1RAB9AKMT2AMAOB | |
| SCHEMBL7445863 | 0.80 | MTNR1A (0.44) | CYP19A1NPC1RAB9AKMT2AGAA | |
| SCHEMBL7437879 | 0.78 | DAO (0.41) | NPC1RAB9A | |
| SCHEMBL7436261 | 0.77 | ALDH1A1 (0.32) | NPC1RAB9A | |
| SCHEMBL1299611 | 0.77 | NISCH (0.44) | CA2NPC1RAB9A | |
| SCHEMBL1299583 | 0.77 | NISCH (0.44) | CA2NPC1RAB9A | |
| SCHEMBL1299584 | 0.77 | NISCH (0.44) | CA2NPC1RAB9A |
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 |