Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL22105441 | 0.80 | ALDH1A1 (0.36) | MTORADORA2AADORA2BKMT2AKDM4E | |
| SCHEMBL20652782 | 0.80 | ADORA2A (0.34) | MTORADORA2AADORA2BKMT2AKDM4E | |
| SCHEMBL20652982 | 0.73 | KMT2A (0.36) | MTORADORA2AADORA2BKMT2AKDM4E | |
| SCHEMBL20652968 | 0.72 | ADORA1 (0.53) | MTORADORA2AADORA2BKMT2AKDM4E | |
| SCHEMBL22109905 | 0.72 | ALDH1A1 (0.51) | KMT2AKDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL20652780 | 0.67 | KMT2A (0.37) | MTORADORA2AADORA2BKMT2AKDM4E | |
| SCHEMBL2333182 | 0.65 | ADORA2B (0.61) | ADORA2AADORA2B | |
| SCHEMBL20655914 | 0.65 | KDM4E (0.47) | ADORA2AADORA2BKMT2AKDM4EALDH1A1 | |
| SCHEMBL22560007 | 0.64 | PNP (0.43) | MTORKMT2AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL20653044 | 0.64 | ADORA2A (0.58) | MTORADORA2AADORA2BHSD17B10TSHR |
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-3894409-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2020120449-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |