Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | USP2 | O75604 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3349828 | 0.79 | HTR6 (0.68) | DRD2HTR6TSHRKMT2AKDM4E | |
| SCHEMBL19537477 | 0.79 | HSP90AA1 (0.58) | ALDH1A1TSHRKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL3352972 | 0.77 | HTR6 (0.62) | CYP2C19ALDH1A1DRD2HTR6KMT2A | |
| SCHEMBL3345464 | 0.77 | HTR6 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3347629 | 0.76 | HTR6 (0.61) | CYP2C19ALDH1A1DRD2HTR6KMT2A | |
| SCHEMBL2165339 | 0.76 | HRH4 (0.69) | HTR3A | |
| SCHEMBL3346394 | 0.74 | DRD2 (0.64) | ALDH1A1DRD2HTR6KMT2AMEN1 | |
| SCHEMBL3350651 | 0.74 | DRD2 (0.57) | DRD2HTR6KMT2AHTR3EHTR3B | |
| SCHEMBL3347895 | 0.72 | DRD2 (0.61) | ALDH1A1DRD2HTR6KMT2AMEN1 | |
| SCHEMBL3347950 | 0.70 | HTR6 (1.00) | DRD2HTR6KMT2AHTR3EHTR3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010053388-A1 | NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT | INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) | 2010-05-14 | — | — | WO | claimed |
| WO-2010053388-A1 | NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT | INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010053388-A1 | NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEPTOR MODULATING AGENT | INSTYTUT FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) | 2010-05-14 | — | — | WO | disclosed |