Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.51 |
| ▸ | GRK2 | P25098 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.48 |
| ▸ | SCD | O00767 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30669835 | 1.00 | MCL1 (0.54) | MCL1HDAC6LMNAHDAC3HDAC4 | |
| SCHEMBL1500148 | 0.86 | GRK2 (0.65) | MCL1GRK2SCDMMP13 | |
| SCHEMBL29723994 | 0.86 | GRK2 (0.65) | MCL1GRK2SCDMMP13 | |
| SCHEMBL29147374 | 0.86 | MMP13 (0.64) | MCL1HDAC6LMNAHDAC3HDAC4 | |
| SCHEMBL2315222 | 0.82 | GRK2 (0.50) | MCL1HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL29065789 | 0.81 | GRK2 (0.65) | GRK2TP53SMN1; SMN2MMP13TRPA1 | |
| SCHEMBL2611259 | 0.81 | HDAC6 (0.67) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5529666 | 0.81 | SMN1; SMN2 (0.67) | HDAC6LMNAHDAC1TP53SMN1; SMN2 | |
| SCHEMBL4210572 | 0.80 | MCL1 (0.61) | MCL1LMNADDR1SMN1; SMN2HTT | |
| SCHEMBL2317430 | 0.80 | SCD (0.63) | HDAC6LMNAHDAC3HDAC4HDAC1 |
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-113461661-B | 6- (pyridin-3-yl) quinazoline-4 (3H) -ketone derivative and preparation 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) | 2023-11-28 | — | — | CN | disclosed |
| CN-113461661-A | 6- (pyridine-3-yl) quinazoline-4 (3H) -ketone derivative and preparation 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) | 2021-10-01 | — | — | CN | disclosed |