Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540921 | 0.86 | HTR1A (0.68) | HTR1AADRA1DADRA1AADRA1BDRD2 | |
| Oxalic Acid SCHEMBL7648371 | 0.85 | HTR1A (0.64) | HTR1AADRA1DADRA1AADRA1BDRD2 | |
| SCHEMBL7649487 | 0.79 | ADRA1D (0.45) | ADRA1DADRA1AADRA1BDRD2 | |
| SCHEMBL27628252 | 0.75 | ACHE (0.56) | — | |
| SCHEMBL17911066 | 0.74 | CYP2D6 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7971839 | 0.72 | DRD4 (0.57) | HTR1ADRD2DRD3 | |
| SCHEMBL26144986 | 0.72 | OPRM1 (0.47) | — | |
| SCHEMBL7690863 | 0.71 | ADRA1A (0.57) | HTR1AADRA1DADRA1AADRA1B | |
| Bromide SCHEMBL7683252 | 0.70 | ADRA1A (0.56) | HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL9423266 | 0.70 | HTR1A (0.75) | HTR1AADRA1DADRA1AADRA1BDRD2 |
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-0563345-B1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB INC (US) | 2002-07-03 | — | — | EP | disclosed |
| US-5569659-A | ANTIPSYCHOTIC AGENT | MCNEILAB, INC. (US) | 1996-10-29 | — | — | US | 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 |