Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | SLC6A7 | Q99884 | 6/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | GBA1 | P04062 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6653359 | 0.99 | ALDH1A1 (0.56) | ALDH1A1GAASLC6A7PARP1KDM4E | |
| SCHEMBL6653362 | 0.96 | ALDH1A1 (0.54) | ALDH1A1GAASLC6A7PARP1KDM4E | |
| SCHEMBL6655484 | 0.91 | SLC6A7 (0.62) | ALDH1A1SLC6A7PARP1KDM4EHPGD | |
| SCHEMBL6652211 | 0.89 | SLC6A7 (0.62) | ALDH1A1SLC6A7PARP1KDM4EHPGD | |
| SCHEMBL6652154 | 0.89 | L3MBTL1 (0.67) | ALDH1A1SLC6A7PARP1KDM4EHPGD | |
| SCHEMBL6651715 | 0.88 | SLC6A7 (0.65) | ALDH1A1GAASLC6A7PARP1KDM4E | |
| Hydrochloric Acid SCHEMBL6653082 | 0.88 | SLC6A7 (0.61) | ALDH1A1SLC6A7PARP1KDM4EHPGD | |
| Hypochlorous Acid SCHEMBL6653089 | 0.88 | SLC6A7 (0.61) | ALDH1A1SLC6A7PARP1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL6650956 | 0.88 | L3MBTL1 (0.65) | ALDH1A1SLC6A7PARP1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL6657431 | 0.87 | SLC6A7 (0.64) | ALDH1A1GAASLC6A7PARP1KDM4E |
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 | claimed |
| US-6372746-B1 | ANTICONVULSIVE AGENTS, SEDATIVES AND EATING DISORDERS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2002-04-16 | — | — | US | claimed |
| 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 | claimed |