Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 2/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2181132 | 0.81 | KDM4E (0.48) | KDM4EALDH1A1HPGDHDAC6HDAC3 | |
| SCHEMBL2178732 | 0.81 | HDAC6 (0.46) | KDM4EALDH1A1HPGDHDAC6HDAC3 | |
| SCHEMBL16850283 | 0.77 | KDM4E (0.49) | KDM4EALDH1A1HPGDHDAC6HDAC3 | |
| SCHEMBL16850273 | 0.74 | KDM4E (0.54) | KDM4EALDH1A1HPGDHDAC6HDAC3 | |
| SCHEMBL18766026 | 0.73 | KDM4E (0.46) | KDM4EALDH1A1HPGDHDAC6HDAC4 | |
| SCHEMBL1500259 | 0.73 | AOC3 (0.47) | KDM4EALDH1A1HPGDHDAC6AOC3 | |
| SCHEMBL25872020 | 0.72 | IRAK4 (0.56) | — | |
| SCHEMBL449230 | 0.70 | HDAC6 (0.42) | KDM4EALDH1A1HPGDHDAC6HDAC3 | |
| SCHEMBL8046017 | 0.69 | AOC3 (0.47) | KDM4EALDH1A1HPGDHDAC6KAT2B | |
| SCHEMBL16850282 | 0.69 | KDM4E (0.47) | KDM4EALDH1A1HPGDTNFKAT2B |
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-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |