Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | ESRRB | O95718 | 2/20 | 0.42 |
| ▸ | ESRRA | P11474 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13106212 | 0.79 | HTT (0.38) | CHRM4KDM4EALDH1A1PARP1HTT | |
| SCHEMBL13106417 | 0.79 | CHRM4 (0.42) | CHRM4KDM4EHTT | |
| SCHEMBL14077456 | 0.79 | HTT (0.42) | CHRM4KDM4EALDH1A1HPGDHTT | |
| SCHEMBL13106202 | 0.74 | MPO (0.42) | KDM4EALDH1A1HPGDGAA | |
| SCHEMBL23996985 | 0.74 | ESR1 (0.38) | ESR1ESR2ESRRBESRRAHTR2A | |
| SCHEMBL5074428 | 0.71 | ESR1 (0.40) | ESR1ESR2ESRRBESRRAALDH1A1 | |
| SCHEMBL27359752 | 0.71 | ESR1 (0.41) | ESR1ESR2ESRRBESRRAKDM4E | |
| Methane SCHEMBL27712687 | 0.70 | ESR1 (0.39) | ESR1ESR2ESRRBESRRAALDH1A1 | |
| SCHEMBL13106380 | 0.69 | POLB (0.39) | CHRM4ALDH1A1 | |
| SCHEMBL13106459 | 0.69 | HTT (0.36) | ALDH1A1HTT |
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-2020081689-A1 | AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-04-23 | — | — | WO | disclosed |