Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 11/20 | 0.58 |
| ▸ | HCRTR2 | O43614 | 11/20 | 0.58 |
| ▸ | GBA1 | P04062 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SLC6A7 | Q99884 | 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 SCHEMBL6657608 | 0.99 | HCRTR1 (0.57) | HCRTR1HCRTR2GBA1PARP1KDM4E | |
| Hypochlorous Acid SCHEMBL6657614 | 0.98 | HCRTR1 (0.56) | HCRTR1HCRTR2GBA1PARP1KDM4E | |
| SCHEMBL6657811 | 0.87 | HCRTR1 (0.59) | HCRTR1HCRTR2GBA1PARP1KDM4E | |
| SCHEMBL6652764 | 0.87 | GBA1 (0.69) | HCRTR1HCRTR2GBA1KDM4EALDH1A1 | |
| SCHEMBL6653673 | 0.87 | HCRTR1 (0.59) | HCRTR1HCRTR2GBA1PARP1KDM4E | |
| SCHEMBL6652442 | 0.87 | HCRTR1 (0.74) | HCRTR1HCRTR2GBA1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6651132 | 0.86 | HCRTR1 (0.73) | HCRTR1HCRTR2GBA1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6660080 | 0.86 | GBA1 (0.67) | HCRTR1HCRTR2GBA1KDM4EALDH1A1 | |
| SCHEMBL6657777 | 0.86 | HCRTR1 (0.58) | HCRTR1HCRTR2GBA1PARP1KDM4E | |
| Hydrochloric Acid SCHEMBL27528733 | 0.86 | HCRTR1 (0.58) | HCRTR1HCRTR2GBA1PARP1KDM4E |
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 |