Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | ACHE | P22303 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.43 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16014105 | 0.80 | KDM4E (0.68) | ADORA2AKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL6072767 | 0.73 | ADORA2A (0.60) | ADORA2AADORA1KDM4EHSD17B10ACHE | |
| SCHEMBL5138971 | 0.68 | PIP4K2A (0.58) | ADORA2AADORA1KDM4EALDH1A1HPGD | |
| SCHEMBL6254905 | 0.68 | KDM4E (0.70) | ADORA2AKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL22021219 | 0.68 | ACHE (0.46) | KDM4EHSD17B10ACHEALDH1A1SMN1; SMN2 | |
| SCHEMBL30162064 | 0.68 | ACHE (0.46) | KDM4EHSD17B10ACHEALDH1A1SMN1; SMN2 | |
| SCHEMBL6440793 | 0.67 | XDH (0.66) | ADORA2AADORA1KDM4EALDH1A1HPGD | |
| SCHEMBL17351623 | 0.66 | ALDH1A1 (0.52) | ADORA2AKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL23207157 | 0.66 | HTR7 (0.42) | ADORA2AADORA1KDM4EACHEALDH1A1 | |
| SCHEMBL9259795 | 0.66 | GABRA3 (0.41) | — |
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-2964644-A1 | PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | Amgen Inc. (US) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014138484-A1 | PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE | AMGEN INC. (US) | 2014-09-12 | — | — | WO | disclosed |