Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29499445 | 0.88 | NOTUM (0.40) | ADORA2BMAPTADORA3SMN1; SMN2HDAC3 | |
| SCHEMBL29499444 | 0.88 | ADORA3 (0.38) | ADORA2BKMT2APARP1TSHRADORA3 | |
| SCHEMBL26980000 | 0.82 | TSHR (0.41) | MAPTTSHRADORA3SMN1; SMN2HDAC1 | |
| SCHEMBL24304729 | 0.82 | TNKS (0.38) | ADORA2BTNKS2KMT2AKDM4EADORA3 | |
| SCHEMBL24305162 | 0.81 | TNKS2 (0.38) | ADORA2BTNKS2KMT2AKDM4EMEN1 | |
| SCHEMBL24305416 | 0.80 | TSHR (0.35) | ADORA2BKDM4EMAPTTSHRADORA3 | |
| SCHEMBL29499415 | 0.80 | SMN1; SMN2 (0.36) | ADORA2BKDM4EMAPTTSHRADORA3 | |
| SCHEMBL24304732 | 0.80 | ADORA3 (0.43) | ADORA2BKMT2AMEN1MAPTTSHR | |
| SCHEMBL24305167 | 0.79 | MCHR1 (0.41) | MAOB | |
| SCHEMBL24304750 | 0.79 | PKM (0.44) | KMT2AMEN1MAPTTSHRNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4229059-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | Rheinische Friedrich-Wilhelms-Universität Bonn (DE) | 2023-08-23 | — | — | EP | disclosed |
| WO-2022079245-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) | 2022-04-21 | — | — | WO | disclosed |
| WO-2022079245-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) | 2022-04-21 | — | — | WO | disclosed |