Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24095622 | 0.94 | NPSR1 (0.40) | ADORA3MAPTMEN1ALDH1A1HTT | |
| SCHEMBL24095997 | 0.93 | ADORA3 (0.42) | ADORA3ADORA2BADORA1ADORA2AMAPT | |
| SCHEMBL20652948 | 0.92 | ADORA3 (0.41) | ADORA3MAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL24095572 | 0.89 | ADORA3 (0.41) | ADORA3ADORA2BADORA1ADORA2AKDM4E | |
| SCHEMBL20656030 | 0.89 | ADORA3 (0.41) | ADORA3ADORA2BADORA1ADORA2AMAPT | |
| SCHEMBL20655954 | 0.88 | ADORA3 (0.42) | ADORA3ADORA2BADORA1ADORA2AKDM4E | |
| SCHEMBL20652805 | 0.86 | P2RX3 (0.39) | ADORA3MAPTALDH1A1HTTKMT2A | |
| SCHEMBL20653056 | 0.86 | P2RX3 (0.41) | MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL20656031 | 0.85 | PKM (0.41) | ADORA3MAPTKDM4EALDH1A1HTT | |
| SCHEMBL24096010 | 0.85 | ADORA3 (0.42) | ADORA3ADORA2BADORA1ADORA2AMAPT |
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-3652176-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-12-15 | — | — | EP | disclosed |
| WO-2019011802-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |