Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 9/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23657180 | 0.96 | HTR1A (0.51) | HTR1ADRD2DRD3KCNA5KCNH2 | |
| SCHEMBL23657242 | 0.92 | HTR1A (0.48) | HTR1ADRD2DRD3KCNA5KCNH2 | |
| SCHEMBL23657408 | 0.91 | HTR1A (0.53) | HTR1ADRD2DRD3KCNA5KCNH2 | |
| SCHEMBL23657181 | 0.86 | HTR1A (0.55) | HTR1ADRD2DRD3KCNA5KCNH2 | |
| SCHEMBL23657372 | 0.86 | HTR1A (0.54) | HTR1ADRD2DRD3KCNA5KCNH2 | |
| SCHEMBL23657349 | 0.84 | HTR1A (0.53) | HTR1ADRD2DRD3KCNH2ACHE | |
| SCHEMBL23657334 | 0.83 | HTR1A (0.52) | HTR1ADRD2DRD3KCNA5KCNH2 | |
| SCHEMBL23657413 | 0.83 | HTR1A (0.52) | HTR1ADRD2DRD3KCNA5KCNH2 | |
| SCHEMBL29824680 | 0.83 | KCNA5 (0.69) | KCNA5KCNH2 | |
| SCHEMBL23657272 | 0.82 | HRH3 (0.52) | HTR1ADRD2DRD3KCNH2ACHE |
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-2021145729-A1 | NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF | DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) | 2021-07-22 | — | — | WO | disclosed |