Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | RBP4 | P02753 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21238828 | 0.82 | PDE10A (0.50) | — | |
| SCHEMBL17456033 | 0.82 | IKBKB (0.47) | CYP11B1CYP11B2RBP4 | |
| SCHEMBL7470506 | 0.81 | NOS3 (0.42) | CYP11B1CYP11B2HTR2CHTR2BNOS3 | |
| SCHEMBL17456018 | 0.81 | CYP11B1 (0.42) | CYP11B1CYP11B2RBP4 | |
| SCHEMBL17455933 | 0.81 | CYP11B1 (0.38) | CYP11B1CYP11B2HTR2CRBP4 | |
| SCHEMBL17455917 | 0.81 | CYP1A2 (0.47) | CYP11B1CYP11B2RBP4 | |
| SCHEMBL17455936 | 0.81 | CACNB4 (0.39) | CYP11B1CYP11B2RBP4 | |
| Hydrochloric Acid SCHEMBL7466317 | 0.80 | NOS3 (0.42) | CYP11B1CYP11B2HTR2CHTR2BNOS3 | |
| SCHEMBL17456046 | 0.80 | MCHR1 (0.53) | CYP11B1CYP11B2 | |
| SCHEMBL17456006 | 0.80 | NAMPT (0.46) | RBP4 |
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-2982666-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2019-08-07 | — | — | EP | disclosed |