Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.39 |
| ▸ | BRD2 | P25440 | 2/20 | 0.39 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.39 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 6/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090554 | 0.75 | HCAR3 (0.31) | — | |
| SCHEMBL20656217 | 0.64 | MEN1 (0.33) | BRD4PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20011291 | 0.62 | GDA (0.31) | ALDH1A1TSHR | |
| SCHEMBL18175073 | 0.61 | ADORA2B (0.43) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL12724278 | 0.60 | BRD4 (0.34) | BRD4BRD2BRD3BRDTPDE4A | |
| SCHEMBL15624417 | 0.60 | HDAC3 (0.32) | BRD4BRD2BRD3BRDTPDE4A | |
| SCHEMBL19090592 | 0.58 | ADORA2A (0.33) | ADORA2A | |
| SCHEMBL11987584 | 0.58 | ALDH1A1 (0.32) | ADORA2AADORA2BALDH1A1TSHR | |
| SCHEMBL12724332 | 0.58 | ADORA2A (0.45) | BRD4BRD2BRD3BRDTPDE4A | |
| SCHEMBL25153747 | 0.58 | ADORA2A (0.38) | BRD4BRD2BRD3BRDTPDE4A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017114843-A1 | XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2017-07-06 | — | — | WO | disclosed |