Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | HTR3A | P46098 | 3/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.45 |
| ▸ | HTR3B | O95264 | 2/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14015442 | 0.82 | HTR6 (0.57) | ADRB2NCF1ADRB1HTR3AHTR3E | |
| SCHEMBL31652205 | 0.82 | HTR6 (0.57) | ADRB2NCF1ADRB1HTR3AHTR3E | |
| SCHEMBL28042823 | 0.80 | SLC6A4 (0.66) | ADRB2NCF1ADRB1HTR3AHTR3E | |
| SCHEMBL7821743 | 0.79 | HTR1A (0.49) | ADRB2ADRB1HTR3AHTR2CHTR6 | |
| SCHEMBL7830117 | 0.78 | HTR1A (0.62) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL28042827 | 0.78 | HTR6 (0.45) | ADRB2NCF1ADRB1HTR3AHTR3E | |
| SCHEMBL7821267 | 0.77 | ADRA1D (0.46) | HTR3AHTR3EHTR3BHTR3DHTR3C | |
| SCHEMBL6503533 | 0.77 | ADRA1A (0.59) | HTR6HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL7821698 | 0.77 | HTR3A (0.57) | NCF1ADRB1HTR3AHTR3EHTR3B | |
| SCHEMBL7830587 | 0.76 | HTR3E (0.51) | ADRB2NCF1ADRB1HTR3AHTR3E |
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 |
|---|---|---|---|---|---|---|---|
| US-7319099-B2 | Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |