Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRN | P28799 | 1/20 | 0.42 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6624384 | 0.89 | GRN (0.39) | GRNSORT1KMT2AALDH1A1KDM4E | |
| SCHEMBL12269229 | 0.85 | PDK1 (0.47) | GRNSORT1PIK3CDALDH1A1KDM4E | |
| SCHEMBL18884697 | 0.81 | SMN1; SMN2 (0.46) | GRNSORT1KDM4EDRD3PDK1 | |
| SCHEMBL7289415 | 0.76 | ALDH1A1 (0.33) | GRNSORT1KMT2AALDH1A1 | |
| SCHEMBL7289423 | 0.76 | ALDH1A1 (0.33) | GRNSORT1KMT2AALDH1A1 | |
| SCHEMBL30856536 | 0.75 | TDP1 (0.41) | GRNSORT1KMT2ATDP1DRD3 | |
| SCHEMBL12110191 | 0.75 | HRH3 (0.42) | GRNSORT1DRD3PDK1CCR2 | |
| SCHEMBL19484295 | 0.75 | HRH3 (0.42) | GRNSORT1DRD3PDK1CCR2 | |
| SCHEMBL18884696 | 0.75 | HRH3 (0.42) | GRNSORT1DRD3PDK1CCR2 | |
| Hydrochloric Acid SCHEMBL28851422 | 0.74 | OPRK1 (0.38) | PDK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1959959-A2 | MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-08-27 | — | — | EP | claimed |
| WO-2007067511-A2 | MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-06-14 | — | — | WO | claimed |
| EP-1959959-A2 | MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007067511-A2 | MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-06-14 | — | — | WO | disclosed |