Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL999447 | 0.94 | ALDH1A1 (0.53) | KDM4ETSHRALDH1A1SMN1; SMN2GAA | |
| SCHEMBL21681999 | 0.89 | POLB (0.53) | KDM4ETSHRALDH1A1SMN1; SMN2GAA | |
| SCHEMBL997612 | 0.89 | TSHR (0.53) | KDM4ETSHRALDH1A1GAAMAPT | |
| SCHEMBL21712206 | 0.88 | KDM4E (0.47) | KDM4ETSHRALDH1A1SMN1; SMN2GAA | |
| SCHEMBL997950 | 0.83 | ALDH1A1 (0.47) | KDM4ETSHRALDH1A1SMN1; SMN2GAA | |
| SCHEMBL21740014 | 0.82 | POLB (0.51) | KDM4ETSHRALDH1A1SMN1; SMN2GAA | |
| SCHEMBL996756 | 0.82 | ALDH1A1 (0.47) | KDM4ETSHRALDH1A1SMN1; SMN2GAA | |
| SCHEMBL21709871 | 0.82 | KDM4E (0.54) | KDM4ETSHRALDH1A1SMN1; SMN2POLB | |
| SCHEMBL998259 | 0.79 | KEAP1 (0.59) | KDM4ETSHRALDH1A1SMN1; SMN2GAA | |
| SCHEMBL998257 | 0.79 | KEAP1 (0.59) | KDM4ETSHRALDH1A1SMN1; SMN2GAA |
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-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |