Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL24304730 | 0.88 | ADORA2B (0.41) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL24305416 | 0.84 | TSHR (0.35) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL26980000 | 0.82 | TSHR (0.41) | ADORA3HDAC1TSHRATMSMN1; SMN2 | |
| SCHEMBL24304729 | 0.82 | TNKS (0.38) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL24305162 | 0.81 | TNKS2 (0.38) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL29499415 | 0.80 | SMN1; SMN2 (0.36) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL24304732 | 0.80 | ADORA3 (0.43) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL24304750 | 0.77 | PKM (0.44) | HDAC1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL24305167 | 0.77 | MCHR1 (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-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 |