Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL223413 | 0.79 | GAA (0.49) | GAAKMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL2807054 | 0.77 | LMNA (0.54) | GAAKMT2AMEN1LMNARECQL | |
| SCHEMBL8303828 | 0.77 | ALDH1A1 (0.44) | GAAKMT2AMEN1LMNARECQL | |
| Hydrochloric Acid SCHEMBL19119186 | 0.77 | GAA (0.47) | GAAKMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL17562966 | 0.76 | GAA (0.43) | GAAKMT2AMEN1LMNARECQL | |
| SCHEMBL6081229 | 0.76 | GAA (0.40) | GAAKMT2AMEN1LMNARECQL | |
| SCHEMBL10006896 | 0.75 | GRIA1 (0.46) | GAAKMT2AMEN1LMNARECQL | |
| SCHEMBL26101135 | 0.74 | CACNA1F (0.49) | GAAKMT2AMEN1LMNARECQL | |
| SCHEMBL10807037 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL10807043 | 0.73 | CYP1A2 (0.32) | — |
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-1965794-A2 | OCTAHYDROPYRANO[3,4-C]PYRROLE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007075528-A2 | OCTAHYDROPYRANO[3,4-C]PYRROLE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-07-05 | — | — | WO | disclosed |