Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6093812 | 0.85 | PARP1 (0.39) | PARP1HRH3GAAKDM4EHSP90AA1 | |
| SCHEMBL6096604 | 0.84 | HRH3 (0.41) | PARP1HRH3GAAKDM4EHSP90AA1 | |
| SCHEMBL6094555 | 0.82 | HSP90AA1 (0.45) | PARP1GAAKDM4EHSP90AA1MAPT | |
| SCHEMBL5273569 | 0.80 | HCRTR1 (0.40) | HRH3MAPTALDH1A1HRH4NPC1 | |
| SCHEMBL5280612 | 0.79 | HTR2A (0.51) | PARP1HRH3ALDH1A1NPSR1 | |
| SCHEMBL6095466 | 0.79 | PARP1 (0.41) | PARP1HRH3GAAKDM4EHSP90AA1 | |
| SCHEMBL5276413 | 0.78 | MAPK14 (0.53) | HRH3GAAMAPTALDH1A1GFER | |
| SCHEMBL6096015 | 0.78 | HTR2A (0.41) | PARP1HRH3GAAKDM4EHSP90AA1 | |
| SCHEMBL6330018 | 0.77 | HSP90AA1 (0.47) | GAAKDM4EHSP90AA1MAPTALDH1A1 | |
| SCHEMBL6094921 | 0.77 | HRH3 (0.39) | PARP1HRH3GAAKDM4EHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7084143-B2 | N-(indolecarbonyl) piperazine derivatives | MERCK PATENT GMBH (DE) | 2006-08-01 | — | — | US | disclosed |
| EP-1198453-B9 | N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-11-10 | — | — | EP | disclosed |
| EP-1198453-B1 | N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-04-09 | — | — | EP | disclosed |