Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12836223 | 0.81 | NPY1R (0.52) | POLBNPY1RHTTNPY2RSLC18A3 | |
| SCHEMBL12179157 | 0.78 | NPY1R (0.38) | KDM4EPOLBNPY1RHTTNPY2R | |
| SCHEMBL12836641 | 0.77 | NPY1R (0.43) | NPY1RHTTNPY2RSLC18A3SIGMAR1 | |
| SCHEMBL2590886 | 0.76 | ALDH1A1 (0.53) | CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL8293267 | 0.74 | NPY1R (0.47) | NPY1RHTTNPY2RSLC18A3SIGMAR1 | |
| SCHEMBL12836642 | 0.73 | HTR1A (0.50) | SIGMAR1 | |
| SCHEMBL1318062 | 0.67 | LTA4H (0.52) | NPY1RHTTNPY2RCYP2D6CYP1A2 | |
| SCHEMBL8294455 | 0.66 | SIGMAR1 (0.42) | NPY1RHTTNPY2RSLC18A3SIGMAR1 | |
| SCHEMBL11015522 | 0.64 | SIGMAR1 (0.53) | NPY1RHTTNPY2RSLC18A3SIGMAR1 | |
| SCHEMBL10895325 | 0.64 | SLC18A3 (0.53) | KDM4ENPY1RHTTNPY2RCYP3A4 |
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-2011135276-A1 | 3, 3 -DISUBSTITUTED- ( 8 - AZA - BICYCLO [3.2.1] OCT- 8 - YL) -[5- (1H - PYRAZOL - 4 -YL) -THIOPHEN-3 -YL] METHANONES AS INHIBITORS OF 11 (BETA) -HSD1 | THE UNIVERSITY OF EDINBURGH (GB) | 2011-11-03 | — | — | WO | disclosed |