Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 3/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | PRKCG | P05129 | 1/20 | 0.41 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.41 |
| ▸ | MARK3 | P27448 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | NEK4 | P51957 | 1/20 | 0.41 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.41 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7410722 | 0.86 | F2 (0.53) | HDAC6F2F10PRSS1PRSS2 | |
| SCHEMBL7423473 | 0.83 | ITK (0.47) | ITKAURKAMAP4K4CHEK2PRKCG | |
| SCHEMBL4937046 | 0.79 | F2 (0.49) | ITKHDAC6NPC1KDM4EALDH1A1 | |
| SCHEMBL4937057 | 0.79 | F2 (0.49) | ITKHDAC6NPC1KDM4EALDH1A1 | |
| SCHEMBL7412219 | 0.77 | F2 (0.55) | ITKHDAC6NPC1KDM4EAURKA | |
| SCHEMBL7418283 | 0.76 | F2 (0.49) | ITKHDAC6NPC1KDM4EALDH1A1 | |
| SCHEMBL14914339 | 0.74 | HDAC6 (0.51) | HDAC6NPC1KDM4EALDH1A1RAB9A | |
| SCHEMBL7415541 | 0.74 | F2 (0.48) | ITKHDAC6NPC1KDM4EF2 | |
| SCHEMBL30937423 | 0.73 | HDAC6 (0.62) | HDAC6NPC1KDM4EF2F10 | |
| SCHEMBL28088312 | 0.73 | HDAC6 (0.62) | HDAC6NPC1KDM4EF2F10 |
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-1095025-B1 | BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2002-12-11 | — | — | EP | disclosed |
| US-6248770-B1 | CARDIOVASCULAR DISORDERS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-06-19 | — | — | US | disclosed |