Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | HTR2A | P28223 | 5/20 | 0.38 |
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | HTR2B | P41595 | 5/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9807138 | 0.86 | PLD1 (0.47) | ALDH1A1SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL31087004 | 0.80 | ALDH1A1 (0.47) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9061283 | 0.79 | HTR2C (0.37) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL8983628 | 0.78 | SLC6A2 (0.49) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7594861 | 0.78 | SLC6A4 (0.64) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL31086977 | 0.77 | CYP2D6 (0.50) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7543302 | 0.75 | KDM4E (0.39) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL31045930 | 0.75 | CYP2D6 (0.49) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5330905 | 0.74 | SLC6A2 (0.47) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9443686 | 0.74 | KDM4E (0.38) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 |
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-1006110-B1 | DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-02-11 | — | — | EP | disclosed |
| US-6372746-B1 | ANTICONVULSIVE AGENTS, SEDATIVES AND EATING DISORDERS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2002-04-16 | — | — | US | disclosed |
| EP-1006110-A1 | DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2000-06-07 | — | — | EP | disclosed |