Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25722721 | 0.84 | HTR2A (0.59) | HTR2ASIGMAR1ALDH1A1 | |
| SCHEMBL27811448 | 0.82 | SIGMAR1 (0.49) | SIGMAR1DRD2DRD3ALDH1A1 | |
| SCHEMBL21157883 | 0.82 | PTGDR2 (0.50) | HTR2ASIGMAR1NOS3NOS1NOS2 | |
| SCHEMBL28506219 | 0.82 | PROKR1 (0.57) | HTR2ASIGMAR1PROKR1DRD2MTNR1A | |
| Methylamine SCHEMBL8330626 | 0.77 | ALDH1A1 (0.48) | SIGMAR1NOS3NOS1NOS2DRD2 | |
| SCHEMBL13416035 | 0.76 | ALDH1A1 (0.53) | PROKR1DRD2DRD3ALDH1A1 | |
| SCHEMBL521886 | 0.75 | SLC6A2 (0.51) | HTR2ADRD2DRD3 | |
| SCHEMBL7352591 | 0.74 | DRD2 (0.71) | PROKR1DRD2DRD3ALDH1A1 | |
| SCHEMBL13416032 | 0.74 | DRD2 (0.71) | PROKR1DRD2DRD3ALDH1A1 | |
| SCHEMBL15284905 | 0.74 | HTR2A (0.56) | HTR2APROKR1DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102083800-A | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS AND USES TH | 2011-06-01 | — | — | CN | disclosed |