Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL253606 | 0.83 | CYP2C19 (0.52) | CYP2C19SMN1; SMN2GABBR2GABBR1ALDH1A1 | |
| SCHEMBL3140559 | 0.80 | CYP2D6 (0.42) | CYP2C19SMN1; SMN2GABBR2GABBR1ALDH1A1 | |
| SCHEMBL23411628 | 0.78 | ATM (0.39) | CYP2C19GABBR2GABBR1ALDH1A1KDM4E | |
| SCHEMBL9254662 | 0.78 | TRPA1 (0.42) | CYP2C19SMN1; SMN2GABBR2GABBR1ALDH1A1 | |
| SCHEMBL18642721 | 0.78 | GABBR2 (0.47) | CYP2C19SMN1; SMN2GABBR2GABBR1ALDH1A1 | |
| SCHEMBL2132327 | 0.78 | LMNA (0.41) | CYP2C19SMN1; SMN2ALDH1A1CYP2D6LMNA | |
| SCHEMBL12654678 | 0.78 | GABBR2 (0.35) | CYP2C19SMN1; SMN2GABBR2GABBR1ALDH1A1 | |
| SCHEMBL1546516 | 0.78 | AOC3 (0.40) | CYP2C19SMN1; SMN2GABBR2GABBR1CYP2D6 | |
| SCHEMBL6802502 | 0.78 | CYP2C19 (0.42) | CYP2C19SMN1; SMN2GABBR2GABBR1ALDH1A1 | |
| SCHEMBL4908362 | 0.78 | LMNA (0.41) | CYP2C19SMN1; SMN2ALDH1A1CYP2D6LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2043644-A1 | NF- B INHIBITOR | Otsuka Pharmaceutical Co., Ltd. (JP) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010601-A1 | NF- ϰB INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-01-24 | — | — | WO | disclosed |