Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.39 |
| ▸ | PGR | P06401 | 3/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5670399 | 0.79 | CA2 (0.62) | PARP1ALOX5CA2NR3C1AR | |
| SCHEMBL31563602 | 0.71 | BRD4 (0.37) | PARP1ALOX5CA2NR3C1AR | |
| SCHEMBL7985016 | 0.71 | PGR (0.45) | PARP1ALOX5CA2NR3C1PGR | |
| SCHEMBL7982133 | 0.70 | PARP1 (0.45) | PARP1ALOX5NR3C1BRD4CREBBP | |
| SCHEMBL5670843 | 0.70 | PARP1 (0.45) | PARP1ALOX5NR3C1BRD4CREBBP | |
| SCHEMBL7984452 | 0.70 | PARP1 (0.45) | PARP1ALOX5BRD4CREBBPKMT2A | |
| SCHEMBL5672871 | 0.70 | ALDH1A1 (0.41) | PARP1ALOX5PGRBRD4CREBBP | |
| SCHEMBL7982283 | 0.69 | EGFR (0.54) | KMT2AMEN1MAPTEGFRALDH1A1 | |
| SCHEMBL13602802 | 0.68 | KMT2A (0.59) | PARP1CA2NR3C1ARPGR | |
| SCHEMBL7988315 | 0.68 | PARP1 (0.42) | PARP1ALOX5NR3C1ARPGR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980362-B1 | SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS | SCHERING AG (DE) | 2006-08-16 | — | — | EP | disclosed |
| US-6191127-B1 | ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-02-20 | — | — | US | disclosed |
| EP-0980362-A1 | SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-02-23 | — | — | EP | disclosed |
| WO-1998050372-A1 | SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-11-12 | — | — | WO | disclosed |