Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 15/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2228313 | 0.76 | DRD4 (0.71) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13887736 | 0.76 | DRD4 (0.71) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13059793 | 0.75 | LMNA (0.47) | DRD4DRD2HRH3SIGMAR1FFAR2 | |
| SCHEMBL13059802 | 0.73 | DRD4 (0.59) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL946953 | 0.72 | LMNA (0.50) | CYP1A2CYP2C9SIGMAR1 | |
| SCHEMBL9779313 | 0.71 | KDM4E (0.31) | HRH3FFAR2 | |
| SCHEMBL16653858 | 0.70 | DRD4 (0.49) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7592387 | 0.70 | DRD4 (0.44) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24399398 | 0.69 | PDK1 (0.33) | — | |
| SCHEMBL1850666 | 0.69 | MC4R (0.55) | SIGMAR1 |
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-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |