Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 5/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | ACR | P10323 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL80101 | 0.82 | MEN1 (0.66) | KMT2AMEN1CYP3A4PRSS1ACR | |
| SCHEMBL1007659 | 0.77 | ACHE (0.44) | CYP3A4BRAFPRSS1PARP1KIF11 | |
| SCHEMBL16380694 | 0.76 | PARP1 (0.49) | BRAFPARP1KIF11OPRK1KCNH2 | |
| SCHEMBL29448779 | 0.76 | PARP1 (0.49) | BRAFPARP1KIF11OPRK1KCNH2 | |
| SCHEMBL27823092 | 0.76 | MEN1 (0.66) | KMT2AMEN1PRSS1ACRATM | |
| SCHEMBL29920925 | 0.76 | MEN1 (0.66) | KMT2AMEN1PRSS1ACRATM | |
| SCHEMBL4513039 | 0.74 | JAK2 (0.36) | CYP3A4BRAFATMLMNACYP2C9 | |
| SCHEMBL1592771 | 0.74 | JAK2 (0.44) | BRAFATMESR1ESR2CYP2C9 | |
| SCHEMBL28826217 | 0.74 | L3MBTL1 (0.49) | KMT2ACYP3A4KIF11CYP2C9MAPT | |
| SCHEMBL2008254 | 0.73 | TP53 (0.47) | KMT2AMEN1CYP3A4LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007737-A2 | CHEMICAL COMPOUNDS | AstraZeneca AB (SE) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007113558-A2 | QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY | ASTRAZENECA AB (SE) | 2007-10-11 | — | — | WO | disclosed |