Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL24305162 | 0.89 | TNKS2 (0.38) | ALDH1A1TP53ADORA3ADORA2BATM | |
| SCHEMBL24304730 | 0.88 | ADORA2B (0.41) | ADORA3ADORA2BSMN1; SMN2MAPTDAO | |
| SCHEMBL29499444 | 0.88 | ADORA3 (0.38) | ADORA3ADORA2BATMSMN1; SMN2CYP1A2 | |
| SCHEMBL26980000 | 0.82 | TSHR (0.41) | ADORA3ATMSMN1; SMN2MAPTPOLB | |
| SCHEMBL29499415 | 0.82 | SMN1; SMN2 (0.36) | ALDH1A1TP53ADORA3ADORA2BATM | |
| SCHEMBL24304729 | 0.82 | TNKS (0.38) | ADORA3ADORA2BHDAC3HDAC4HDAC1 | |
| SCHEMBL24305416 | 0.80 | TSHR (0.35) | ALDH1A1ADORA3ADORA2BATMSMN1; SMN2 | |
| SCHEMBL24304732 | 0.80 | ADORA3 (0.43) | ADORA3ADORA2BATMSMN1; SMN2MAPT | |
| SCHEMBL24304750 | 0.79 | PKM (0.44) | ALDH1A1SMN1; SMN2MAPTPOLBHDAC1 | |
| SCHEMBL26980213 | 0.79 | RAB9A (0.45) | ALDH1A1TP53ADORA3ADORA2BATM |
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 |