Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 4/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5561299 | 0.84 | CCR1 (0.37) | MEN1KMT2AKDM4CCCR1TSHR | |
| SCHEMBL5561858 | 0.83 | CCR1 (0.36) | MEN1KMT2ALMNAKDM4CCCR1 | |
| SCHEMBL5555442 | 0.74 | CCR1 (0.40) | MEN1KMT2AKDM4CTP53CCR1 | |
| SCHEMBL5562218 | 0.74 | TSHR (0.40) | LMNACYP3A4CCR1TSHRALDH1A1 | |
| SCHEMBL5555449 | 0.73 | NPC1 (0.36) | LMNAKDM4C | |
| SCHEMBL5441762 | 0.72 | XIAP (0.45) | LMNATP53CYP3A4ALDH1A1 | |
| SCHEMBL5555788 | 0.71 | KMT2A (0.43) | KMT2A | |
| SCHEMBL5555862 | 0.71 | KMT2A (0.44) | KMT2ALMNACYP2D6TSHRALDH1A1 | |
| SCHEMBL5562089 | 0.71 | MAPT (0.44) | CYP3A4CCR1TSHRALDH1A1 | |
| SCHEMBL5562682 | 0.70 | XIAP (0.40) | KMT2ALMNACYP3A4CYP2D6TSHR |
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-1631296-A1 | 2,3,4,5-TETRAHYDROBENZO[F][1,4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-08 | — | — | EP | disclosed |
| WO-2004100958-A1 | 2, 3, 4, 5-TETRAHYDROBENZO[F][1, 4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-25 | — | — | WO | disclosed |