Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.42 |
| ▸ | ACACB | O00763 | 4/20 | 0.37 |
| ▸ | ACACA | Q13085 | 2/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL2236373 | 1.00 | MAOB (0.42) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL13582309 | 0.90 | MAOB (0.42) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL13582306 | 0.90 | MAOB (0.42) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL13582311 | 0.90 | MAOB (0.42) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL2236375 | 0.83 | ACACB (0.39) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL2236384 | 0.83 | ACACB (0.39) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL2234682 | 0.83 | MAOB (0.41) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL2234686 | 0.83 | MAOB (0.41) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL2234688 | 0.83 | MAOB (0.41) | MAOBACACBACACAPARP10ALDH1A1 | |
| SCHEMBL2233197 | 0.82 | MAOB (0.38) | MAOBACACBACACAPARP10ALDH1A1 |
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-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |