Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8037415 | 0.89 | S1PR1 (0.41) | MTNR1AHPGDS1PR1APPACHE | |
| SCHEMBL8037435 | 0.87 | PDE10A (0.41) | S1PR1APP | |
| SCHEMBL8037394 | 0.87 | POLB (0.46) | MTNR1AMTNR1BKDM4EHPGDS1PR1 | |
| SCHEMBL8037440 | 0.86 | PDE10A (0.42) | — | |
| SCHEMBL8035132 | 0.85 | S1PR1 (0.38) | KDM4ES1PR1APPACHE | |
| SCHEMBL8037444 | 0.85 | EPHX2 (0.43) | — | |
| SCHEMBL8041448 | 0.85 | EPHX2 (0.43) | — | |
| SCHEMBL8041411 | 0.84 | S1PR1 (0.43) | KDM4ES1PR1APPACHE | |
| SCHEMBL8035725 | 0.84 | KDM4E (0.43) | KDM4EHPGDS1PR1 | |
| SCHEMBL8041325 | 0.83 | ALDH1A1 (0.45) | KDM4ES1PR1 |
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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |