Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.42 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL13728963 | 0.72 | CYP2E1 (0.45) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL21241220 | 0.70 | BRD4 (0.46) | BRD4CYP2C9CYP2C19NISCHMTOR | |
| SCHEMBL3534447 | 0.70 | BRD4 (0.40) | BRD4CYP2C9CYP2C19NISCHMTOR | |
| SCHEMBL14401096 | 0.69 | NISCH (0.44) | BRD4CYP2C9CYP2C19NISCHMTOR | |
| SCHEMBL13096285 | 0.69 | CCR1 (0.59) | BRD4CYP2C9CYP2C19CYP2A6NISCH | |
| SCHEMBL81650 | 0.68 | NISCH (0.59) | BRD4CYP2C9CYP2C19NISCHMTOR | |
| SCHEMBL18806853 | 0.68 | CYP2C9 (0.57) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL16547507 | 0.67 | CYP2C9 (0.52) | BRD4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL24067465 | 0.66 | NPC1 (0.55) | CYP2C19MTORALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL4911546 | 0.66 | CYP2C9 (0.41) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 |
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-1228059-A1 | NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM KG (DE) | 2002-08-07 | — | — | EP | claimed |
| WO-2001032648-A1 | NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-05-10 | — | — | WO | claimed |