Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.55 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | BCR | P11274 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
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 SCHEMBL6651531 | 0.99 | ALDH1A1 (0.59) | ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2 | |
| Hypochlorous Acid SCHEMBL6651534 | 0.98 | ALDH1A1 (0.58) | ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2 | |
| SCHEMBL6653885 | 0.88 | ALDH1A1 (0.79) | ALDH1A1HPGDKDM4EABL1BCR | |
| Hydrochloric Acid SCHEMBL6651521 | 0.87 | ALDH1A1 (0.77) | ALDH1A1HPGDKDM4EABL1BCR | |
| SCHEMBL6655163 | 0.87 | ALDH1A1 (0.60) | ALDH1A1HPGDSMN1; SMN2KDM4EHCRTR1 | |
| SCHEMBL6652154 | 0.86 | L3MBTL1 (0.67) | ALDH1A1HPGDSMN1; SMN2KDM4EHCRTR1 | |
| SCHEMBL6651675 | 0.86 | SLC6A7 (0.58) | ALDH1A1HPGDSMN1; SMN2KDM4EABL1 | |
| SCHEMBL6655484 | 0.86 | SLC6A7 (0.62) | ALDH1A1HPGDKDM4EHCRTR1HCRTR2 | |
| Hypochlorous Acid SCHEMBL6651528 | 0.86 | ALDH1A1 (0.76) | ALDH1A1HPGDKDM4EABL1BCR | |
| Hydrochloric Acid SCHEMBL6652882 | 0.86 | ALDH1A1 (0.59) | ALDH1A1HPGDSMN1; SMN2KDM4EHCRTR1 |
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 |