Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.58 |
| ▸ | HTR1B | P28222 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016010 | 0.85 | HTR1A (0.60) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| Water SCHEMBL9016003 | 0.84 | ADRA1D (0.64) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| Bromide SCHEMBL7647385 | 0.84 | ADRA1D (0.64) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| Water SCHEMBL9016012 | 0.84 | ADRA1D (0.64) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| SCHEMBL9539641 | 0.82 | HTR1A (0.80) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| Oxalic Acid SCHEMBL7647400 | 0.81 | ADRA1D (0.67) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| Hydrochloric Acid SCHEMBL7648139 | 0.81 | HTR1A (0.79) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| Fumaric Acid SCHEMBL7646646 | 0.81 | HTR1A (0.55) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| Fumaric Acid SCHEMBL7646648 | 0.81 | HTR1A (0.55) | HTR1ADRD2ADRA1DHTR1BADRA1A | |
| SCHEMBL9540921 | 0.74 | HTR1A (0.68) | HTR1ADRD2ADRA1DHTR1BADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0563345-B1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB INC (US) | 2002-07-03 | — | — | EP | disclosed |
| EP-0563345-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-10-06 | — | — | EP | disclosed |
| WO-1993004682-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-03-18 | — | — | WO | disclosed |