Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 7/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | PARP1 | P09874 | 6/20 | 0.58 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.54 |
| ▸ | AKT1 | P31749 | 1/20 | 0.54 |
| ▸ | FLT3 | P36888 | 1/20 | 0.54 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.54 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.54 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.52 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL1257333 | 0.89 | PARP1 (0.63) | ACVR1KDM4ENPC1PDPK1ALDH1A1 | |
| SCHEMBL8622180 | 0.87 | ACVR1 (0.73) | ACVR1PDPK1SMN1; SMN2PARP1CHEK1 | |
| SCHEMBL27615456 | 0.85 | PARP1 (0.56) | ACVR1KDM4ENPC1PDPK1ALDH1A1 | |
| SCHEMBL182838 | 0.83 | ACVR1 (0.61) | ACVR1PARP1CHEK1PIM1AKT1 | |
| SCHEMBL13820309 | 0.83 | PARP1 (0.78) | ACVR1PARP1CHEK1PIM1AKT1 | |
| SCHEMBL3739920 | 0.82 | IP6K1 (0.61) | ACVR1PDPK1SMN1; SMN2PARP1CHEK1 | |
| SCHEMBL13717312 | 0.81 | ACVR1 (0.59) | ACVR1PARP1CHEK1PIM1AKT1 | |
| SCHEMBL27246023 | 0.81 | ALDH1A1 (0.52) | ACVR1KDM4ENPC1PDPK1ALDH1A1 | |
| SCHEMBL7980737 | 0.81 | ACVR1 (0.67) | ACVR1PDPK1SMN1; SMN2PARP1CHEK1 | |
| SCHEMBL3806264 | 0.80 | ACVR1 (0.57) | ACVR1PARP1CHEK1PIM1AKT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466942-A | Chiral secondary phosphine oxide compound, chiral quinazolinone/pyrimidinone ring derivative based on chiral secondary phosphine oxide compound and application of chiral quinazolinone/pyrimidinone ring derivative | 中山大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-108368053-A | Substituted benzazepine derivatives as antibacterial compounds | 葛兰素史密斯克莱知识产权发展有限公司 | 2018-08-03 | — | — | CN | disclosed |
| WO-2011041655-A1 | QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-04-07 | — | — | WO | disclosed |