Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21254118 | 0.86 | GABRA1 (0.43) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL26028930 | 0.86 | MPO (0.45) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL21845433 | 0.82 | GABRA1 (0.41) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL28083896 | 0.79 | GABRA1 (0.44) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL27972274 | 0.79 | GABRA1 (0.50) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL3400989 | 0.78 | SLC6A4 (0.50) | GABRA1GABRB2KCNH2TAAR1CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL27691931 | 0.77 | GABRA1 (0.52) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL245773 | 0.76 | GABRA1 (0.57) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL13688534 | 0.76 | ADH1B (0.47) | GABRA1GABRB2KCNH2SCN5ATAAR1 | |
| SCHEMBL8051825 | 0.75 | GABRA1 (0.56) | GABRA1GABRB2KCNH2SCN5ATAAR1 |
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-2011123937-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2011-10-13 | — | — | WO | disclosed |