Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 12/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 12/20 | 0.47 |
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6649976 | 0.84 | HCRTR1 (0.46) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| SCHEMBL6650527 | 0.84 | HCRTR1 (0.49) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| SCHEMBL6652566 | 0.83 | HCRTR1 (0.45) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| Hydrochloric Acid SCHEMBL27484703 | 0.83 | HCRTR1 (0.45) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| Hydrochloric Acid SCHEMBL6650987 | 0.83 | HCRTR1 (0.48) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| SCHEMBL6652492 | 0.83 | HCRTR1 (0.47) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| SCHEMBL6650909 | 0.83 | ALDH1A1 (0.70) | HCRTR1HCRTR2ALDH1A1 | |
| Hypochlorous Acid SCHEMBL6650991 | 0.82 | HCRTR1 (0.48) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| Hypochlorous Acid SCHEMBL6652392 | 0.82 | HCRTR1 (0.44) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 | |
| Hydrochloric Acid SCHEMBL6652387 | 0.82 | HCRTR1 (0.44) | HCRTR1HCRTR2ALDH1A1PARP1SLC6A7 |
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 2 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 |
| 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 |