Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.42 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4091295 | 0.89 | SLC6A11 (0.42) | ALDH1A1MEN1KMT2ASLC6A1SLC6A11 | |
| SCHEMBL13770439 | 0.75 | SLC6A11 (0.45) | ALDH1A1MEN1KMT2ASLC6A1SLC6A11 | |
| SCHEMBL1095803 | 0.75 | SLC6A11 (0.44) | ALDH1A1MEN1KMT2ASLC6A1SLC6A11 | |
| SCHEMBL1095780 | 0.71 | SLC6A11 (0.46) | ALDH1A1MEN1KMT2ASLC6A1SLC6A11 | |
| SCHEMBL1086283 | 0.71 | DRD3 (0.51) | ALDH1A1MEN1KMT2ASLC6A1SLC6A11 | |
| SCHEMBL20371123 | 0.69 | KIF11 (0.51) | SMN1; SMN2KIF11 | |
| SCHEMBL8963508 | 0.66 | HTR1A (0.53) | MAPTSIGMAR1HTR1A | |
| SCHEMBL4428708 | 0.66 | SLC6A2 (0.41) | ALDH1A1SMN1; SMN2MEN1KMT2ASLC6A1 | |
| SCHEMBL20371122 | 0.65 | KIF11 (0.44) | SMN1; SMN2MEN1KMT2AKIF11 | |
| SCHEMBL715992 | 0.64 | KIF11 (0.50) | SMN1; SMN2KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| US-8765950-B2 | Reagents for biomolecular labeling, detection and quantification employing raman spectroscopy | PURDUE RESEARCH FOUNDATION (US) | 2014-07-01 | — | — | US | disclosed |