Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | CETP | P11597 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5013286 | 0.96 | HTR1A (0.51) | HTR1ASIGMAR1CETPHTR2CADRA1D | |
| SCHEMBL5012728 | 0.89 | SIGMAR1 (0.52) | HTR1ASIGMAR1CETPHTR2CADRA1D | |
| SCHEMBL2095906 | 0.85 | MAOB (0.38) | HTR1ASIGMAR1CETPHTR2CSLC6A4 | |
| SCHEMBL2094724 | 0.83 | HTR1A (0.37) | HTR1ASIGMAR1CETPHTR2CSLC6A4 | |
| SCHEMBL27644378 | 0.82 | SIGMAR1 (0.49) | HTR1ASIGMAR1CETPHTR2CADRA1D | |
| SCHEMBL5536058 | 0.78 | ADRA1D (0.57) | HTR1ASIGMAR1CETPHTR2CADRA1D | |
| SCHEMBL27645223 | 0.77 | SIGMAR1 (0.54) | HTR1ASIGMAR1CETPHTR2CADRA1D | |
| SCHEMBL2093048 | 0.77 | LRRK2 (0.38) | HTR1ASIGMAR1CETPHTR2CMAPT | |
| SCHEMBL5539608 | 0.75 | SIGMAR1 (0.58) | HTR1ASIGMAR1HTR2CADRA1DADRA1A | |
| SCHEMBL5012696 | 0.74 | SIGMAR1 (0.46) | HTR1ASIGMAR1HTR2CADRA1DADRA1A |
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-1678185-B1 | 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMA CO LTD (JP) | 2008-10-08 | — | — | EP | disclosed |