Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 6/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4073818 | 0.89 | TAAR1 (0.35) | ABCB1ABCG2KCNH2 | |
| SCHEMBL8939750 | 0.84 | LTA4H (0.44) | HTR1ADRD2 | |
| SCHEMBL6504160 | 0.80 | HMGCR (0.35) | — | |
| SCHEMBL3363963 | 0.79 | TAAR1 (0.52) | — | |
| SCHEMBL8859943 | 0.78 | ABCB1 (0.40) | ABCB1ABCG2HTR1ADRD2 | |
| SCHEMBL1012043 | 0.77 | ALOX5 (0.42) | — | |
| SCHEMBL7431739 | 0.77 | HTR1A (0.42) | ABCB1ABCG2HTR1ADRD2KCNH2 | |
| SCHEMBL8091440 | 0.76 | ABCB1 (0.52) | ABCB1 | |
| SCHEMBL17514671 | 0.76 | TAAR1 (0.30) | — | |
| SCHEMBL455800 | 0.76 | GABRA1 (0.37) | KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1776349-B1 | 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-06 | — | — | EP | disclosed |