Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | HTR7 | P34969 | 4/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418004 | 0.74 | HTR1A (0.48) | ALDH1A1HTR1AHTR7HRH3 | |
| SCHEMBL8416472 | 0.74 | KDM4E (0.61) | HTR1AHTR7 | |
| SCHEMBL8697159 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HRH3 | |
| SCHEMBL8016659 | 0.73 | HRH3 (0.45) | HRH3 | |
| Hydrochloric Acid SCHEMBL6162378 | 0.72 | SIGMAR1 (0.52) | ALDH1A1 | |
| SCHEMBL8416539 | 0.71 | HTR2A (0.55) | HTR1AHTR7 | |
| SCHEMBL8115703 | 0.71 | HTR1A (0.41) | ALDH1A1HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL8115889 | 0.71 | HTR1A (0.40) | ALDH1A1HTR1AHTR7 | |
| SCHEMBL6159869 | 0.71 | CCR1 (0.50) | HTR1AHTR7 | |
| SCHEMBL5848271 | 0.71 | SIGMAR1 (0.53) | ALDH1A1HTR1AHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6232329-B1 | POSSESSING THERAPEUTIC ACTIVITY FOR THE TREATMENT OF ANXIETY, PSYCHOSIS, EPILEPSY, CONVULSION, MOTORICITY PROBLEMS, AMNESIA, CEREBROVASCULAR DISEASES OR SENILE DEMENTIA | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2001-05-15 | — | — | US | disclosed |
| US-5731331-A | Tetrahydropyridine-(or 4-hydroxypiperidine) alkylazoles | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1998-03-24 | — | — | US | disclosed |
| WO-1996004287-A1 | TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1996-02-15 | — | — | WO | disclosed |