Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | AGER | Q15109 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13923568 | 0.77 | CYP2A6 (0.53) | CA12CA1CA9ALDH1A1GAA | |
| SCHEMBL19959021 | 0.75 | KDM4E (0.48) | CA12CA1CA9ALDH1A1LMNA | |
| SCHEMBL18611618 | 0.74 | KDM4E (0.43) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL3825460 | 0.74 | CA12 (0.64) | CA12CA1CA9ALDH1A1GAA | |
| SCHEMBL8512294 | 0.74 | CA12 (1.00) | CA12CA1CA9ALDH1A1GAA | |
| SCHEMBL8516023 | 0.74 | CA12 (1.00) | CA12CA1CA9ALDH1A1GAA | |
| SCHEMBL10957540 | 0.73 | CA12 (0.56) | CA12CA1CA9ALDH1A1GAA | |
| SCHEMBL24788343 | 0.73 | MAOB (0.41) | CA12CA1CA9LMNAMAOB | |
| SCHEMBL15829348 | 0.73 | PIM1 (0.56) | CA12CA1CA9GAAMEN1 | |
| SCHEMBL10507360 | 0.71 | CA12 (0.54) | CA12CA1CA9ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023011416-A1 | MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR | 中国海洋大学 | 2023-02-09 | — | — | WO | disclosed |