Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | SCN1A | P35498 | 2/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.41 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.41 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11822611 | 0.86 | KCNA5 (0.43) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL5669240 | 0.83 | ALDH1A1 (0.47) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL11880698 | 0.81 | KDM4E (0.43) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL6194668 | 0.80 | KCNA5 (0.43) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL22610224 | 0.80 | CYP2C19 (0.47) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28193434 | 0.80 | ALDH1A1 (0.49) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL1971757 | 0.80 | TSHR (0.55) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL18601248 | 0.79 | KCNA5 (0.42) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9983122 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL11822712 | 0.78 | KCNA5 (0.37) | KCNA5KCNH2ALDH1A1CYP1A2CYP2D6 |
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-2212305-A1 | BETA-LACTONE COMPOUNDS | Burnham Institute for Medical Research (US) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009059046-A1 | BETA-LACTONE COMPOUNDS | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2009-05-07 | — | — | WO | disclosed |