Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29054860 | 0.96 | HDAC1 (0.66) | KCNA3HDAC1CA12CA1CA9 | |
| SCHEMBL29054804 | 0.95 | HDAC1 (0.68) | KCNA3HDAC1CA12CA1CA9 | |
| SCHEMBL29054833 | 0.95 | HDAC1 (0.68) | KCNA3HDAC1CA12CA1CA9 | |
| SCHEMBL29054813 | 0.86 | KCNA3 (0.64) | KCNA3HDAC1CA12CA1CA9 | |
| SCHEMBL29054863 | 0.85 | HDAC1 (0.56) | KCNA3HDAC1CA12CA9ALOX15 | |
| SCHEMBL30537319 | 0.85 | HDAC1 (0.56) | KCNA3HDAC1CA12CA9ALOX15 | |
| SCHEMBL30537360 | 0.84 | HDAC1 (0.55) | KCNA3HDAC1ALOX15 | |
| SCHEMBL29054842 | 0.84 | HDAC1 (0.55) | KCNA3HDAC1ALOX15 | |
| SCHEMBL29054811 | 0.84 | HDAC1 (0.58) | KCNA3HDAC1ALOX15 | |
| SCHEMBL30537341 | 0.84 | HDAC1 (0.58) | KCNA3HDAC1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118724855-A | Coumarin HDAC6 inhibitor and preparation method and application thereof | 四川卫生康复职业学院 | 2024-10-01 | — | — | CN | disclosed |
| CN-116621801-A | Coumarin derivative and preparation method and application thereof | 暨南大学 | 2023-08-22 | — | — | CN | disclosed |