Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.42 |
| ▸ | SLC2A3 | P11169 | 2/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | DRD3 | P35462 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14330835 | 0.78 | MTOR (0.46) | MTORMGLLDRD2DRD3DRD4 | |
| SCHEMBL30239650 | 0.76 | GRM4 (0.45) | MTORMGLLDRD2DRD3DRD4 | |
| SCHEMBL21877535 | 0.76 | DRD2 (0.46) | MTORSLC2A1SLC2A3MGLLDRD2 | |
| SCHEMBL27686519 | 0.76 | BCHE (0.41) | MTORMGLLDRD2DRD3DRD4 | |
| SCHEMBL31297077 | 0.76 | DRD2 (0.46) | MTORSLC2A1SLC2A3MGLLDRD2 | |
| SCHEMBL23403311 | 0.76 | GAA (0.51) | MTORMGLLDRD2DRD3DRD4 | |
| SCHEMBL5804713 | 0.76 | GRM4 (0.45) | MTORMGLLDRD2DRD3DRD4 | |
| SCHEMBL22633031 | 0.76 | MTOR (0.45) | MTORMGLLDRD2DRD3DRD4 | |
| SCHEMBL30632073 | 0.76 | GAA (0.51) | MTORMGLLDRD2DRD3DRD4 | |
| SCHEMBL7805608 | 0.75 | AVPR2 (0.49) | MTORMGLLCREBBPDRD2DRD3 |
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-1628980-A1 | 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES | Bayer HealthCare AG (DE) | 2006-03-01 | — | — | EP | disclosed |
| EP-1626971-A1 | 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES | Bayer HealthCare AG (DE) | 2006-02-22 | — | — | EP | disclosed |
| WO-2004099211-A1 | 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES | BAYER HEALTHCARE AG (DE) | 2004-11-18 | — | — | WO | disclosed |
| WO-2004099210-A1 | 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES | BAYER HEALTHCARE AG (DE) | 2004-11-18 | — | — | WO | disclosed |