Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 4/20 | 0.59 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226797 | 0.93 | SMO (0.61) | SMONR3C1LMNAMAPTL3MBTL1 | |
| SCHEMBL5229662 | 0.92 | SMO (0.58) | SMONR3C1LMNAMAPTL3MBTL1 | |
| SCHEMBL5225751 | 0.84 | SMO (0.54) | SMONR3C1LMNAMAPTL3MBTL1 | |
| SCHEMBL5227214 | 0.83 | SMO (0.52) | SMONR3C1LMNAKDM4EALDH1A1 | |
| SCHEMBL5225922 | 0.81 | L3MBTL1 (0.53) | SMONR3C1LMNAMAPTL3MBTL1 | |
| SCHEMBL5228140 | 0.80 | NR3C1 (0.48) | SMONR3C1LMNAMAPTABCB1 | |
| SCHEMBL5224244 | 0.79 | SMO (0.49) | SMONR3C1LMNAMAPTL3MBTL1 | |
| SCHEMBL5227445 | 0.79 | DRD4 (0.46) | SMODRD2NR3C1MAPTL3MBTL1 | |
| SCHEMBL5230174 | 0.79 | DRD4 (0.46) | SMODRD2MAPTL3MBTL1KDM4E | |
| SCHEMBL5223490 | 0.79 | SMO (0.40) | SMODRD2LMNAMAPTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |