Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 12/20 | 0.39 |
| ▸ | DRD3 | P35462 | 12/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 7/20 | 0.37 |
| ▸ | HTR2A | P28223 | 7/20 | 0.37 |
| ▸ | DRD1 | P21728 | 3/20 | 0.37 |
| ▸ | DRD5 | P21918 | 3/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 5/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2497608 | 0.83 | TP53 (0.43) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2495260 | 0.79 | TP53 (0.45) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2478790 | 0.75 | KCNH2 (0.42) | DRD2DRD3HTR1AHTR2AHRH1 | |
| SCHEMBL2494194 | 0.70 | DRD2 (0.54) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2497285 | 0.68 | BCL2L1 (0.41) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2491766 | 0.68 | DRD2 (0.47) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2495273 | 0.66 | HTR1A (0.51) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2494400 | 0.66 | TP53 (0.53) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2496525 | 0.66 | TP53 (0.51) | DRD2DRD3HRH3HTR1AHTR2A | |
| SCHEMBL2494421 | 0.65 | DRD2 (0.54) | DRD2DRD3HRH3HTR1AHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373629-A1 | COMPOUNDS FOR TREATING CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-12 | — | — | EP | claimed |
| WO-2010067067-A1 | COMPOUNDS FOR TREATING CANCER | EVOTEC AG (DE) | 2010-06-17 | — | — | WO | claimed |
| EP-2373629-A1 | COMPOUNDS FOR TREATING CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010067067-A1 | COMPOUNDS FOR TREATING CANCER | EVOTEC AG (DE) | 2010-06-17 | — | — | WO | disclosed |