Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | BRD9 | Q9H8M2 | 9/20 | 0.41 |
| ▸ | BRD4 | O60885 | 4/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 3/20 | 0.41 |
| ▸ | BRD7 | Q9NPI1 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL5611262 | 1.00 | NCF1 (0.46) | NCF1DRD2DRD3HTR1ADRD4 | |
| SCHEMBL1737562 | 1.00 | NCF1 (0.46) | NCF1DRD2DRD3HTR1ADRD4 | |
| SCHEMBL4480301 | 0.95 | NCF1 (0.54) | NCF1DRD2DRD3HTR1ADRD4 | |
| SCHEMBL4477924 | 0.93 | NCF1 (0.47) | NCF1DRD2DRD3HTR1ADRD4 | |
| SCHEMBL4474160 | 0.88 | CHRNA7 (0.39) | DRD2DRD3HTR1ADRD4HTR2A | |
| SCHEMBL1740973 | 0.87 | HTR1A (0.47) | NCF1DRD2DRD3HTR1ADRD4 | |
| SCHEMBL4467894 | 0.84 | PTGER3 (0.41) | DRD2DRD3HTR1ADRD4HTR2A | |
| SCHEMBL4479143 | 0.84 | MAPT (0.39) | DRD2DRD3HTR1ADRD4LMNA | |
| SCHEMBL1739004 | 0.84 | ALK (0.47) | DRD2DRD3DRD4ALK | |
| SCHEMBL4475156 | 0.82 | PTGER3 (0.33) | KMT2ALMNAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008068614-A2 | STEREOSELECTIVE SYNTHESIS OF 1-[6-ETHYL-1,2-DIHYDROXY-PROPYL)-PYRIDIN-3-YL]-3-[2-(4-METHYL-PIPERAZIN-1-YL)-BENZYL]-PYRROLIDIN-2-ONE | PFIZER PRODUCTS INC. (US) | 2008-06-12 | — | — | WO | claimed |
| WO-2007012964-A1 | PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION | PFIZER PRODUCTS INC. (US) | 2007-02-01 | — | — | WO | claimed |
| WO-2008068614-A2 | STEREOSELECTIVE SYNTHESIS OF 1-[6-ETHYL-1,2-DIHYDROXY-PROPYL)-PYRIDIN-3-YL]-3-[2-(4-METHYL-PIPERAZIN-1-YL)-BENZYL]-PYRROLIDIN-2-ONE | PFIZER PRODUCTS INC. (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2007012964-A1 | PREPARATION OF ALKYLPIPERAZINYLPHENYL COMPOUNDS BY CLASSICAL RESOLUTION | PFIZER PRODUCTS INC. (US) | 2007-02-01 | — | — | WO | disclosed |