Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.71 |
| ▸ | DRD2 | P14416 | 10/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.69 |
| ▸ | HTR2A | P28223 | 9/20 | 0.65 |
| ▸ | HTR1A | P08908 | 2/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.64 |
| ▸ | HTR2C | P28335 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | HRH1 | P35367 | 1/20 | 0.64 |
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | HTR6 | P50406 | 1/20 | 0.64 |
| ▸ | HTR7 | P34969 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545753 | 0.94 | ACHE (0.73) | ACHEDRD2SLC6A4HTR2AKCNH2 | |
| SCHEMBL7356978 | 0.92 | ACHE (0.71) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL11238900 | 0.89 | DRD2 (0.71) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| Fumaric Acid SCHEMBL1545382 | 0.88 | ACHE (0.63) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| Hydrochloric Acid SCHEMBL10895287 | 0.88 | DRD2 (0.70) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| Ethylene SCHEMBL10894091 | 0.87 | DRD2 (0.69) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| SCHEMBL1544799 | 0.87 | ACHE (0.77) | ACHEDRD2SLC6A4HTR2AKCNH2 | |
| SCHEMBL1545611 | 0.86 | ACHE (0.93) | ACHEDRD2SLC6A4HTR2AHTR1A | |
| Fumaric Acid SCHEMBL1545314 | 0.86 | ACHE (0.76) | ACHEDRD2SLC6A4HTR2AKCNH2 | |
| Fumaric Acid SCHEMBL1545316 | 0.86 | ACHE (0.76) | ACHEDRD2SLC6A4HTR2AKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730452-A4 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST ROUSSEL PHARMA (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0730452-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST MARION ROUSSEL, Inc. (US) | 1996-09-11 | — | — | EP | disclosed |