Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 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 | |
|---|---|---|---|---|
| SCHEMBL18088201 | 0.93 | PRKCZ (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28530131 | 0.86 | CYP1A2 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL9561191 | 0.85 | ALDH1A1 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL30034553 | 0.85 | ALDH1A1 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL31107049 | 0.84 | MAPT (0.49) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL27717676 | 0.84 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL11654321 | 0.83 | CYP1A2 (0.57) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL14241184 | 0.82 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL18174837 | 0.81 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL26328449 | 0.81 | CYP1A2 (0.46) | CYP1A2ERBB2FYNMAOAACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015182769-A1 | QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME | 東ソー株式会社 | 2015-12-03 | — | — | WO | disclosed |