Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 3/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | GCK | P35557 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.37 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3198358 | 0.95 | IP6K1 (0.54) | IP6K1MCL1GCKMAOBL3MBTL1 | |
| SCHEMBL3204606 | 0.84 | PARP1 (0.41) | — | |
| SCHEMBL3275718 | 0.83 | IP6K1 (0.61) | IP6K1CYP1A2MAOBL3MBTL1PPARG | |
| SCHEMBL29717416 | 0.83 | IP6K1 (0.61) | IP6K1CYP1A2MAOBL3MBTL1PPARG | |
| SCHEMBL31728743 | 0.82 | IP6K1 (0.57) | IP6K1CYP1A2CYP1A1MAOBL3MBTL1 | |
| SCHEMBL29717506 | 0.81 | IP6K1 (0.61) | IP6K1MCL1CYP1A2CYP1A1CYP19A1 | |
| SCHEMBL3275884 | 0.81 | IP6K1 (0.61) | IP6K1MCL1CYP1A2CYP1A1CYP19A1 | |
| SCHEMBL23068614 | 0.78 | PARP1 (0.39) | IP6K1 | |
| SCHEMBL3193429 | 0.76 | QPCT (0.39) | IP6K1L3MBTL1LMNAMAPT | |
| SCHEMBL4292544 | 0.76 | KDM4E (0.37) | — |
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-1528925-A1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Astrazeneca AB (SE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004004732-A1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2004-01-15 | — | — | WO | disclosed |