Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | KHK | P50053 | 6/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | ERCC4 | Q92889 | 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 | |
|---|---|---|---|---|
| SCHEMBL29539072 | 0.78 | CYP11B2 (0.44) | LRRK2ADRA2AADRA2BADRA2CNR3C1 | |
| Hydrochloric Acid SCHEMBL30557140 | 0.76 | CYP11B2 (0.43) | LRRK2ADRA2AADRA2BADRA2CNR3C1 | |
| SCHEMBL29493752 | 0.76 | NR3C1 (0.62) | HTR2AHTR2CHTR2BHTR1AADRA2A | |
| SCHEMBL25368249 | 0.76 | NR3C1 (0.62) | HTR2AHTR2CHTR2BHTR1AADRA2A | |
| SCHEMBL29741029 | 0.76 | MAPT (0.43) | LRRK2 | |
| SCHEMBL15505492 | 0.75 | NR3C1 (0.65) | HTR2AHTR2CHTR2BNR3C1PGR | |
| SCHEMBL30557175 | 0.75 | LRRK2 (0.37) | LRRK2CYP11B2CYP11B1KHK | |
| SCHEMBL29741008 | 0.73 | HTR2A (0.47) | HTR2AHTR2CHTR2BLRRK2HTR1A | |
| SCHEMBL29539207 | 0.71 | LRRK2 (0.33) | LRRK2 | |
| SCHEMBL29741312 | 0.71 | NR3C1 (0.42) | HTR2AHTR2CHTR2BLRRK2HTR1A |
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-2022155419-A1 | INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS | ESCAPE Bio, Inc. (US) | 2022-07-21 | — | — | WO | disclosed |