Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3346301 | 0.89 | TAAR1 (0.47) | ALDH1A1TAAR1DRD2DRD3NPC1 | |
| SCHEMBL7331954 | 0.83 | TAAR1 (0.54) | ALDH1A1TAAR1DRD2DRD3NPC1 | |
| SCHEMBL27326357 | 0.83 | TAAR1 (0.54) | ALDH1A1TAAR1DRD2DRD3NPC1 | |
| SCHEMBL599876 | 0.82 | KEAP1 (0.54) | TAAR1DRD2DRD3OPRM1OPRD1 | |
| SCHEMBL12530212 | 0.81 | IAPP (0.50) | ALDH1A1TAAR1DRD2DRD3NPC1 | |
| SCHEMBL4461408 | 0.81 | OPRM1 (0.49) | ALDH1A1TAAR1DRD2DRD3NPC1 | |
| SCHEMBL8352443 | 0.80 | TAAR1 (0.50) | ALDH1A1TAAR1DRD2DRD3NPC1 | |
| SCHEMBL2102408 | 0.80 | TAAR1 (0.55) | ALDH1A1TAAR1DRD2DRD3MAPT | |
| Hydrochloric Acid SCHEMBL27428710 | 0.80 | KEAP1 (0.52) | TAAR1DRD2DRD3OPRM1OPRD1 | |
| SCHEMBL6296479 | 0.79 | TAAR1 (0.46) | ALDH1A1TAAR1DRD2DRD3NPC1 |
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 | disclosed |
| EP-1725540-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005095359-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-13 | — | — | WO | disclosed |