Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 5/20 | 0.64 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.52 |
| ▸ | GRK2 | P25098 | 4/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | PRKCB | P05771 | 1/20 | 0.51 |
| ▸ | AKT1 | P31749 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3085533 | 0.90 | MMP13 (0.55) | MMP13HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19338476 | 0.86 | MMP13 (0.65) | MMP13HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28634877 | 0.86 | MCL1 (0.54) | MMP13MCL1LMNAHDAC3HDAC4 | |
| SCHEMBL30669835 | 0.86 | MCL1 (0.54) | MMP13MCL1LMNAHDAC3HDAC4 | |
| SCHEMBL2491607 | 0.85 | MMP13 (0.64) | MMP13HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2315834 | 0.85 | MMP13 (0.64) | MMP13HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29723994 | 0.83 | GRK2 (0.65) | MMP13MCL1GRK2GRK5 | |
| SCHEMBL1500148 | 0.83 | GRK2 (0.65) | MMP13MCL1GRK2GRK5 | |
| SCHEMBL29433505 | 0.82 | QPCT (0.58) | MMP13LMNAMAPTTSHRKDM4E | |
| SCHEMBL15825080 | 0.82 | QPCT (0.58) | MMP13LMNAMAPTTSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113501819-B | Pyridoimidazole substituted quinazolinone derivative, and synthetic method and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2024-02-02 | — | — | CN | disclosed |