Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.46 |
| ▸ | DCPS | Q96C86 | 4/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2125491 | 0.78 | ABCG2 (0.51) | DHFRDCPSCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL1154543 | 0.73 | DHFR (0.75) | DHFRDCPSKCNH2 | |
| SCHEMBL1155243 | 0.73 | DHFR (0.75) | DHFRDCPSKCNH2 | |
| SCHEMBL1154243 | 0.73 | DHFR (0.75) | DHFRDCPSKCNH2 | |
| SCHEMBL1154437 | 0.72 | DHFR (0.60) | DHFRDCPSKCNH2 | |
| SCHEMBL20483820 | 0.68 | ELANE (0.49) | DHFRCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL29593101 | 0.66 | CYP1A1 (0.77) | DCPSCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL1395347 | 0.66 | CYP1A1 (0.77) | DCPSCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL1154842 | 0.66 | DHFR (0.70) | DHFRDCPSKCNH2 | |
| SCHEMBL1154943 | 0.66 | DHFR (0.74) | DHFRDCPSKCNH2 |
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-1664028-A1 | QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS | AstraZeneca AB (SE) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005026151-A1 | QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2005-03-24 | — | — | WO | disclosed |