Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A7 | Q99884 | 6/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | GBA1 | P04062 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6652211 | 0.99 | SLC6A7 (0.62) | SLC6A7HSD17B10PARP1HSP90AB1GBA1 | |
| Hydrochloric Acid SCHEMBL6653082 | 0.98 | SLC6A7 (0.61) | SLC6A7HSD17B10PARP1HSP90AB1GBA1 | |
| Hypochlorous Acid SCHEMBL6650960 | 0.90 | L3MBTL1 (0.64) | SLC6A7HSD17B10PARP1HSP90AB1MAPT | |
| SCHEMBL6652771 | 0.88 | ALDH1A1 (0.57) | SLC6A7PARP1GBA1SMN1; SMN2KDM4E | |
| SCHEMBL6653362 | 0.87 | ALDH1A1 (0.54) | SLC6A7PARP1GBA1SMN1; SMN2AKR1C3 | |
| SCHEMBL6652154 | 0.87 | L3MBTL1 (0.67) | SLC6A7HSD17B10PARP1HSP90AB1MAPT | |
| SCHEMBL6655484 | 0.87 | SLC6A7 (0.62) | SLC6A7PARP1KDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL6653359 | 0.87 | ALDH1A1 (0.56) | SLC6A7PARP1GBA1SMN1; SMN2KDM4E | |
| Hypochlorous Acid SCHEMBL6657436 | 0.87 | SLC6A7 (0.62) | SLC6A7PARP1MAPTMEN1KMT2A | |
| Hypochlorous Acid SCHEMBL6652886 | 0.87 | ALDH1A1 (0.59) | SLC6A7HSD17B10PARP1MEN1KMT2A |
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 |