Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | KRAS | P01116 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL6096876 | 0.83 | MAPK14 (0.51) | HRH3HRH4MAPTALDH1A1 | |
| SCHEMBL6094758 | 0.82 | ALDH1A1 (0.43) | HCRTR1HCRTR2KEAP1PDPK1HRH3 | |
| SCHEMBL6095466 | 0.80 | PARP1 (0.41) | HRH3KRASMAPTALDH1A1NPC1 | |
| SCHEMBL6093704 | 0.79 | KEAP1 (0.45) | HCRTR1HCRTR2KEAP1PDPK1MAPT | |
| SCHEMBL5273569 | 0.78 | HCRTR1 (0.40) | HCRTR1HCRTR2KEAP1PDPK1HRH3 | |
| SCHEMBL8291050 | 0.78 | KEAP1 (0.54) | KEAP1PDPK1HRH4ALDH1A1HPGD | |
| SCHEMBL6097439 | 0.78 | GHSR (0.53) | ALDH1A1HPGD | |
| SCHEMBL6094161 | 0.77 | MAPK14 (0.50) | MAPT | |
| SCHEMBL6098559 | 0.77 | HCRTR1 (0.39) | HCRTR1HCRTR2KEAP1PDPK1HRH3 | |
| SCHEMBL16598698 | 0.77 | NPSR1 (0.58) | KEAP1MAPTALDH1A1MEN1HPGD |
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 5 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 | claimed |
| US-7084143-B2 | N-(indolecarbonyl) piperazine derivatives | MERCK PATENT GMBH (DE) | 2006-08-01 | — | — | US | disclosed |
| US-6838461-B1 | N-(indolcarbonyl-)piperazine derivatives | MERCK PATENT GMBH (DE) | 2005-01-04 | — | — | 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 |