Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28892584 | 1.00 | HDAC1 (0.44) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL30961678 | 0.79 | CA1 (0.45) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL21178158 | 0.79 | HDAC1 (0.42) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL30823277 | 0.79 | HDAC1 (0.42) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL20051254 | 0.79 | CA1 (0.45) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL25287687 | 0.79 | TGM2 (0.46) | HDAC1HDAC6ALDH1A1HDAC4 | |
| SCHEMBL30368171 | 0.79 | TGM2 (0.46) | HDAC1HDAC6ALDH1A1HDAC4 | |
| SCHEMBL2566903 | 0.75 | FUCA1 (0.43) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL8955980 | 0.74 | SMN1; SMN2 (0.55) | HDAC1HDAC6CA1CA2CA9 | |
| SCHEMBL6694651 | 0.74 | SMN1; SMN2 (0.67) | HDAC1HDAC6CA1CA2CA9 |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |